2-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanyl-butyl]-2-oxidanidyl-3H-isoindol-2-ium-1-one

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanyl-butyl]-2-oxidanidyl-3H-isoindol-2-ium-1-one Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-3-hydroxy-butyl]-2-oxido-isoindolin-2-ium-1-one CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazinyl]-3-hydroxybutyl]-2-oxido-3H-isoindol-2-ium-1-one IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)-3-hydroxybutyl]-2-oxido-3H-isoindol-2-ium-1-one Traditional Name: 2-[4-(4-benzhydrylpiperazino)-3-hydroxy-butyl]-2-oxido-isoindolin-2-ium-1-one Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC[N+]2(CC3=CC=CC=C3C2=O)[O-])O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CC[N+]2(CC3=CC=CC=C3C2=O)[O-])O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3/c33-26(15-20-32(35)22-25-13-7-8-14-27(25)29(32)34)21-30-16-18-31(19-17-30)28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,26,28,33H,15-22H2