2-[1-(3-chlorophenyl)-2,3-dihydroindol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(3-chlorophenyl)-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(3-chlorophenyl)indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-(3-chlorophenyl)-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(3-chlorophenyl)-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(3-chlorophenyl)indolin-1-ium-1-yl]acetic acid Formula: C16H15ClNO2+ MolecularWeight: 288.7488

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C2=CC=CC=C21)(CC(=O)O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[N+](C2=CC=CC=C21)(CC(=O)O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H14ClNO2/c17-13-5-3-6-14(10-13)18(11-16(19)20)9-8-12-4-1-2-7-15(12)18/h1-7,10H,8-9,11H2/p+1