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

Systemtic Name: 3-(3-chloranyl-2-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-chloro-2-methyl-phenyl)imino-indolin-2-one CAS Name: 3-(3-chloro-2-methylphenyl)imino-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-indolone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-chloro-2-methylphenyl)iminoindol-2-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-(3-chloro-2-methyl-phenyl)imino-oxindole Formula: C28H29ClN3O+ MolecularWeight: 459.00236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28ClN3O/c1-20-24(29)11-7-12-25(20)30-27-23-10-5-6-13-26(23)32(28(27)33)19-31-16-14-22(15-17-31)18-21-8-3-2-4-9-21/h2-13,22H,14-19H2,1H3/p+1