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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

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