(3S)-4-oxidanylidene-4-[(phenylmethyl)amino]-3-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: (3S)-4-oxidanylidene-4-[(phenylmethyl)amino]-3-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: (3S)-4-(benzylamino)-4-oxo-3-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-oxo-4-[(phenylmethyl)amino]-3-(1-pyrrolidin-1-iumyl)butanoate IUPAC Name: (3S)-4-(benzylamino)-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-(benzylamino)-4-keto-3-pyrrolidin-1-ium-1-yl-butyrate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CC(=O)[O-])C(=O)NCC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CC(=O)[O-])C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c18-14(19)10-13(17-8-4-5-9-17)15(20)16-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19)/t13-/m0/s1