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

Systemtic Name: 4-oxidanylidene-4-phenylazanyl-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Openeye Name: 4-anilino-4-oxo-2-(pyridin-1-ium-3-ylmethylammonio)butanoate CAS Name: 4-anilino-4-oxo-2-(3-pyridin-1-iumylmethylammonio)butanoate IUPAC Name: 4-anilino-4-oxo-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Traditional Name: 4-anilino-4-keto-2-(pyridin-1-ium-3-ylmethylammonio)butyrate Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=C[NH+]=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=C[NH+]=CC=C2

InChI

InChI=1S/C16H17N3O3/c20-15(19-13-6-2-1-3-7-13)9-14(16(21)22)18-11-12-5-4-8-17-10-12/h1-8,10,14,18H,9,11H2,(H,19,20)(H,21,22)/p+1