methyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate

Systemtic Name: methyl 4-(3-azanyl-1H-isoindol-2-ium-2-yl)benzoate Openeye Name: methyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate CAS Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoate Traditional Name: 4-(3-amino-1H-isoindol-2-ium-2-yl)benzoic acid methyl ester Formula: C16H15N2O2+ MolecularWeight: 267.3025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C16H14N2O2/c1-20-16(19)11-6-8-13(9-7-11)18-10-12-4-2-3-5-14(12)15(18)17/h2-9,17H,10H2,1H3/p+1