methyl (2R)-1-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC[NH+]1CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CCCC[NH+]1CC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-28-23(27)19-12-7-8-14-24(19)15-22(26)25-18-11-5-6-13-21(18)29-16-20(25)17-9-3-2-4-10-17/h2-6,9-11,13,19-20H,7-8,12,14-16H2,1H3/p+1/t19-,20-/m1/s1