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

Systemtic Name: 3-(4-butoxyphenyl)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-butoxyphenyl)imino-indolin-2-one CAS Name: 3-(4-butoxyphenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-butoxyphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(4-butoxyphenyl)imino-oxindole Formula: C31H36N3O2+ MolecularWeight: 482.63644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O2/c1-2-3-21-36-27-15-13-26(14-16-27)32-30-28-11-7-8-12-29(28)34(31(30)35)23-33-19-17-25(18-20-33)22-24-9-5-4-6-10-24/h4-16,25H,2-3,17-23H2,1H3/p+1