ethyl (3S)-1-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(1H-imidazol-2-ylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NC=CN2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=NC=CN2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3/c1-2-25-19(24)20(10-14-26-17-7-4-3-5-8-17)9-6-13-23(16-20)15-18-21-11-12-22-18/h3-5,7-8,11-12H,2,6,9-10,13-16H2,1H3,(H,21,22)/p+1/t20-/m0/s1