3-(4-methylphenyl)imino-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(4-methylphenyl)imino-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(p-tolylimino)indolin-2-one CAS Name: 3-(4-methylphenyl)imino-1-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-3-(p-tolylimino)oxindole Formula: C27H30N4O+2 MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-21-11-13-23(14-12-21)28-26-24-9-5-6-10-25(24)31(27(26)32)20-30-17-15-29(16-18-30)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3/p+2