ethyl (3S)-1-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(benzhydrylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(diphenylmethyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(benzhydrylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(benzhydrylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-2-28-23(27)20-14-9-15-25(16-20)17-21(26)24-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20,22H,2,9,14-17H2,1H3,(H,24,26)/p+1/t20-/m0/s1