ethyl (3S)-1-[2-[(diphenylmethylidene)amino]oxyethyl]piperidin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl (3S)-1-[2-[(diphenylmethylidene)amino]oxyethyl]piperidin-1-ium-3-carboxylate chloride Openeye Name: ethyl (3S)-1-[2-(benzhydrylideneamino)oxyethyl]piperidin-1-ium-3-carboxylate chloride CAS Name: (3S)-1-[2-[(diphenylmethylene)amino]oxyethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl (3S)-1-[2-(benzhydrylideneamino)oxyethyl]piperidin-1-ium-3-carboxylate chloride Traditional Name: (3S)-1-[2-(benzhydrylideneamino)oxyethyl]piperidin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H28N2O3.ClH/c1-2-27-23(26)21-14-9-15-25(18-21)16-17-28-24-22(19-10-5-3-6-11-19)20-12-7-4-8-13-20;/h3-8,10-13,21H,2,9,14-18H2,1H3;1H/t21-;/m0./s1