(3S)-3-morpholin-4-ium-4-yl-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-morpholin-4-ium-4-yl-4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: (3S)-3-morpholin-4-ium-4-yl-4-(2-naphthylamino)-4-oxo-butanoate CAS Name: (3S)-3-(4-morpholin-4-iumyl)-4-(2-naphthalenylamino)-4-oxobutanoate IUPAC Name: (3S)-3-morpholin-4-ium-4-yl-4-(naphthalen-2-ylamino)-4-oxobutanoate Traditional Name: (3S)-4-keto-3-morpholin-4-ium-4-yl-4-(2-naphthylamino)butyrate Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CC(=O)[O-])C(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1COCC[NH+]1[C@@H](CC(=O)[O-])C(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H20N2O4/c21-17(22)12-16(20-7-9-24-10-8-20)18(23)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11,16H,7-10,12H2,(H,19,23)(H,21,22)/t16-/m0/s1