3-(3,4-dimethylphenyl)imino-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(3,4-dimethylphenyl)imino-1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(3,4-dimethylphenyl)imino-indolin-2-one CAS Name: 3-(3,4-dimethylphenyl)imino-1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(3,4-dimethylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-(3,4-dimethylphenyl)imino-oxindole Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CC[NH+](CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)CN4CC[NH+](CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H30N4O/c1-21-12-13-24(18-22(21)2)29-27-25-10-6-7-11-26(25)32(28(27)33)20-31-16-14-30(15-17-31)19-23-8-4-3-5-9-23/h3-13,18H,14-17,19-20H2,1-2H3/p+1