dimethyl 5-(3-azanyl-1H-isoindol-2-ium-2-yl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(3-azanyl-1H-isoindol-2-ium-2-yl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3-amino-1H-isoindol-2-ium-2-yl)benzene-1,3-dicarboxylate CAS Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-amino-1H-isoindol-2-ium-2-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(3-amino-1H-isoindol-2-ium-2-yl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H17N2O4+ MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-23-17(21)12-7-13(18(22)24-2)9-14(8-12)20-10-11-5-3-4-6-15(11)16(20)19/h3-9,19H,10H2,1-2H3/p+1