2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-1-indol-1-iumyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-1-ium-1-yl]acetic acid Formula: C19H17ClNO4+ MolecularWeight: 358.79558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([N+]1(CC(=O)O)C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC

Isomeric SMILES

CC1=CC2=C([N+]1(CC(=O)O)C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC

InChI

InChI=1S/C19H16ClNO4/c1-12-9-14-10-16(25-2)7-8-17(14)21(12,11-18(22)23)19(24)13-3-5-15(20)6-4-13/h3-10H,11H2,1-2H3/p+1