3-(3-methylphenyl)imino-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indol-2-one

Systemtic Name: 3-(3-methylphenyl)imino-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(m-tolylimino)indolin-2-one CAS Name: 3-(3-methylphenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-methylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(m-tolylimino)oxindole Formula: C28H30N3O+ MolecularWeight: 424.5573

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O/c1-21-8-7-11-24(18-21)29-27-25-12-5-6-13-26(25)31(28(27)32)20-30-16-14-23(15-17-30)19-22-9-3-2-4-10-22/h2-13,18,23H,14-17,19-20H2,1H3/p+1