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

Systemtic Name: 3-(3-bromanyl-4-methyl-phenyl)imino-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indol-2-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-bromo-4-methyl-phenyl)imino-indolin-2-one CAS Name: 3-(3-bromo-4-methylphenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-bromo-4-methylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-bromo-4-methyl-phenyl)imino-oxindole Formula: C28H29BrN3O+ MolecularWeight: 503.45336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28BrN3O/c1-20-11-12-23(18-25(20)29)30-27-24-9-5-6-10-26(24)32(28(27)33)19-31-15-13-22(14-16-31)17-21-7-3-2-4-8-21/h2-12,18,22H,13-17,19H2,1H3/p+1