(3S)-3-(phenylmethoxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propanoate

Systemtic Name: (3S)-3-(phenylmethoxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propanoate Openeye Name: (3S)-3-(benzyloxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propanoate CAS Name: (3S)-3-(phenylmethoxycarbonylamino)-3-[(3R)-3-piperidin-1-iumyl]propanoate IUPAC Name: (3S)-3-(phenylmethoxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-3-[(3R)-piperidin-1-ium-3-yl]propionate Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(CC(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1C[C@H](C[NH2+]C1)[C@H](CC(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O4/c19-15(20)9-14(13-7-4-8-17-10-13)18-16(21)22-11-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,18,21)(H,19,20)/t13-,14+/m1/s1