[C-[4-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4,6-bis(oxidanylidene)-1-[3-oxidanylidene-3-(phenylmethoxyamino)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]phenyl]carbonimidoyl]azanium chloride

Systemtic Name: [C-[4-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4,6-bis(oxidanylidene)-1-[3-oxidanylidene-3-(phenylmethoxyamino)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]phenyl]carbonimidoyl]azanium chloride Openeye Name: [4-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-1-[3-(benzyloxyamino)-3-oxo-propyl]-2-methyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]benzenecarboximidoyl]ammonium chloride CAS Name: [[4-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4,6-dioxo-1-[3-oxo-3-(phenylmethoxyamino)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]phenyl]-iminomethyl]ammonium chloride IUPAC Name: [4-[(1S,3R,3aS,6aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4,6-dioxo-1-[3-oxo-3-(phenylmethoxyamino)propyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]benzenecarboximidoyl]azanium chloride Traditional Name: [4-[(1S,3R,3aS,6aR)-1-[3-(benzoxyamino)-3-keto-propyl]-4,6-diketo-2-methyl-5-piperonyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-3-yl]benzimidoyl]ammonium chloride Formula: C32H34ClN5O6 MolecularWeight: 620.09526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2C(C1C3=CC=C(C=C3)C(=N)[NH3+])C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)CCC(=O)NOCC6=CC=CC=C6.[Cl-]

Isomeric SMILES

CN1[C@H]([C@H]2[C@@H]([C@@H]1C3=CC=C(C=C3)C(=N)[NH3+])C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5)CCC(=O)NOCC6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C32H33N5O6.ClH/c1-36-23(12-14-26(38)35-43-17-19-5-3-2-4-6-19)27-28(29(36)21-8-10-22(11-9-21)30(33)34)32(40)37(31(27)39)16-20-7-13-24-25(15-20)42-18-41-24;/h2-11,13,15,23,27-29H,12,14,16-18H2,1H3,(H3,33,34)(H,35,38);1H/t23-,27-,28-,29-;/m0./s1