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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N2C(COC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O4/c1-28-23(27)18-11-13-24(14-12-18)15-22(26)25-19-9-5-6-10-21(19)29-16-20(25)17-7-3-2-4-8-17/h2-10,18,20H,11-16H2,1H3/p+1/t20-/m1/s1