ethyl (3R)-1-(cyclopropylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-(cyclopropylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(cyclopropylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(cyclopropylmethyl)-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(cyclopropylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(cyclopropylmethyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H29NO3/c1-2-23-19(22)20(12-14-24-18-7-4-3-5-8-18)11-6-13-21(16-20)15-17-9-10-17/h3-5,7-8,17H,2,6,9-16H2,1H3/p+1/t20-/m1/s1