(2R)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]-2-piperidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-oxidanylidene-4-[(4-phenyldiazenylphenyl)amino]-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-oxo-4-(4-phenylazoanilino)-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-oxo-4-(4-phenyldiazenylanilino)-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-oxo-4-(4-phenyldiazenylanilino)-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(4-phenylazoanilino)-2-piperidin-1-ium-1-yl-butyrate Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H24N4O3/c26-20(15-19(21(27)28)25-13-5-2-6-14-25)22-16-9-11-18(12-10-16)24-23-17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2,(H,22,26)(H,27,28)/t19-/m1/s1