1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-phenylimino-indol-2-one

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-phenylimino-indol-2-one Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-phenylimino-indolin-2-one CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-phenylimino-2-indolone IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-phenyliminoindol-2-one Traditional Name: 3-phenylimino-1-[(4-piperonylpiperazin-4-ium-1-yl)methyl]oxindole Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5C(=NC6=CC=CC=C6)C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5C(=NC6=CC=CC=C6)C4=O

InChI

InChI=1S/C27H26N4O3/c32-27-26(28-21-6-2-1-3-7-21)22-8-4-5-9-23(22)31(27)18-30-14-12-29(13-15-30)17-20-10-11-24-25(16-20)34-19-33-24/h1-11,16H,12-15,17-19H2/p+1