3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]amino]indol-2-one Openeye Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]indol-2-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]amino]-2-indolone IUPAC Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]indol-2-one Traditional Name: 3-[(4-benzhydrylpiperazin-4-ium-1-yl)amino]indol-2-one Formula: C25H25N4O+ MolecularWeight: 397.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)NC4=C5C=CC=CC5=NC4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)NC4=C5C=CC=CC5=NC4=O

InChI

InChI=1S/C25H24N4O/c30-25-23(21-13-7-8-14-22(21)26-25)27-29-17-15-28(16-18-29)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,24H,15-18H2,(H,26,27,30)/p+1