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

Systemtic Name: 3-(2,3-dimethylphenyl)imino-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(2,3-dimethylphenyl)imino-indolin-2-one CAS Name: 3-(2,3-dimethylphenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(2,3-dimethylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(2,3-dimethylphenyl)imino-oxindole Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O/c1-21-9-8-13-26(22(21)2)30-28-25-12-6-7-14-27(25)32(29(28)33)20-31-17-15-24(16-18-31)19-23-10-4-3-5-11-23/h3-14,24H,15-20H2,1-2H3/p+1