ethyl (3S)-1-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-3-benzhydryloxy-2-hydroxypropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2S)-3-benzhydryloxy-2-hydroxy-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-2-28-24(27)21-14-9-15-25(16-21)17-22(26)18-29-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,21-23,26H,2,9,14-18H2,1H3/p+1/t21-,22-/m0/s1