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

Systemtic Name: 3-(4-butylphenyl)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-butylphenyl)imino-indolin-2-one CAS Name: 3-(4-butylphenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-butylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-butylphenyl)imino-oxindole Formula: C31H36N3O+ MolecularWeight: 466.63704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O/c1-2-3-9-24-14-16-27(17-15-24)32-30-28-12-7-8-13-29(28)34(31(30)35)23-33-20-18-26(19-21-33)22-25-10-5-4-6-11-25/h4-8,10-17,26H,2-3,9,18-23H2,1H3/p+1