(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholino-2-phenyl-ethanone CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2S)-1-morpholino-2-phenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C24H31N3O4+2 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(C4=CC=CC=C4)C(=O)N5CCOCC5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)[C@@H](C4=CC=CC=C4)C(=O)N5CCOCC5

InChI

InChI=1S/C24H29N3O4/c28-24(27-12-14-29-15-13-27)23(20-4-2-1-3-5-20)26-10-8-25(9-11-26)17-19-6-7-21-22(16-19)31-18-30-21/h1-7,16,23H,8-15,17-18H2/p+2/t23-/m0/s1