4-(naphthalen-1-ylamino)-4-oxidanylidene-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate

Systemtic Name: 4-(naphthalen-1-ylamino)-4-oxidanylidene-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Openeye Name: 4-(1-naphthylamino)-4-oxo-2-(pyridin-1-ium-3-ylmethylammonio)butanoate CAS Name: 4-(1-naphthalenylamino)-4-oxo-2-(3-pyridin-1-iumylmethylammonio)butanoate IUPAC Name: 4-(naphthalen-1-ylamino)-4-oxo-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Traditional Name: 4-keto-4-(1-naphthylamino)-2-(pyridin-1-ium-3-ylmethylammonio)butyrate Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CC(C(=O)[O-])[NH2+]CC3=C[NH+]=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CC(C(=O)[O-])[NH2+]CC3=C[NH+]=CC=C3

InChI

InChI=1S/C20H19N3O3/c24-19(23-17-9-3-7-15-6-1-2-8-16(15)17)11-18(20(25)26)22-13-14-5-4-10-21-12-14/h1-10,12,18,22H,11,13H2,(H,23,24)(H,25,26)/p+1