methyl (3S)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: methyl (3S)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: methyl (3S)-4-(benzylamino)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (3S)-2,2-dimethyl-3-(4-morpholin-4-iumyl)-4-oxo-4-[(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (3S)-4-(benzylamino)-2,2-dimethyl-3-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (3S)-4-(benzylamino)-4-keto-2,2-dimethyl-3-morpholin-4-ium-4-yl-butyric acid methyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NCC1=CC=CC=C1)[NH+]2CCOCC2)C(=O)OC

Isomeric SMILES

CC(C)([C@@H](C(=O)NCC1=CC=CC=C1)[NH+]2CCOCC2)C(=O)OC

InChI

InChI=1S/C18H26N2O4/c1-18(2,17(22)23-3)15(20-9-11-24-12-10-20)16(21)19-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/p+1/t15-/m1/s1