(2R)-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-(naphthalen-2-ylamino)-4-oxidanylidene-2-piperazin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(2-naphthylamino)-4-oxo-2-piperazin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(2-naphthalenylamino)-4-oxo-2-(1-piperazin-1-iumyl)butanoate IUPAC Name: (2R)-4-(naphthalen-2-ylamino)-4-oxo-2-piperazin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-keto-4-(2-naphthylamino)-2-piperazin-1-ium-1-yl-butyrate Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)C(CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCN1)[C@H](CC(=O)NC2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C18H21N3O3/c22-17(12-16(18(23)24)21-9-7-19-8-10-21)20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16,19H,7-10,12H2,(H,20,22)(H,23,24)/t16-/m1/s1