dimethyl-[2-[[10-methyl-1,3-bis(oxidanylidene)-2-(phenylmethyl)-9H-pyrrolo[3,4-b]carbazol-4-yl]methylamino]-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: dimethyl-[2-[[10-methyl-1,3-bis(oxidanylidene)-2-(phenylmethyl)-9H-pyrrolo[3,4-b]carbazol-4-yl]methylamino]-2-oxidanylidene-ethyl]azanium chloride Openeye Name: [2-[(2-benzyl-10-methyl-1,3-dioxo-9H-pyrrolo[3,4-b]carbazol-4-yl)methylamino]-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: dimethyl-[2-[[10-methyl-1,3-dioxo-2-(phenylmethyl)-9H-pyrrolo[3,4-b]carbazol-4-yl]methylamino]-2-oxoethyl]ammonium chloride IUPAC Name: [2-[(2-benzyl-10-methyl-1,3-dioxo-9H-pyrrolo[3,4-b]carbazol-4-yl)methylamino]-2-oxoethyl]-dimethylazanium chloride Traditional Name: [2-[(2-benzyl-1,3-diketo-10-methyl-9H-pyrrolo[3,4-b]carbazol-4-yl)methylamino]-2-keto-ethyl]-dimethyl-ammonium chloride Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C(=O)N(C3=O)CC4=CC=CC=C4)CNC(=O)C[NH+](C)C)C5=CC=CC=C5N2.[Cl-]

Isomeric SMILES

CC1=C2C(=C(C3=C1C(=O)N(C3=O)CC4=CC=CC=C4)CNC(=O)C[NH+](C)C)C5=CC=CC=C5N2.[Cl-]

InChI

InChI=1S/C27H26N4O3.ClH/c1-16-22-24(27(34)31(26(22)33)14-17-9-5-4-6-10-17)19(13-28-21(32)15-30(2)3)23-18-11-7-8-12-20(18)29-25(16)23;/h4-12,29H,13-15H2,1-3H3,(H,28,32);1H