ethyl (3S)-1-cyclobutyl-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-cyclobutyl-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-cyclobutyl-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-cyclobutyl-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-cyclobutyl-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-cyclobutyl-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)C2CCC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H29NO3/c1-2-23-19(22)20(13-15-24-18-10-4-3-5-11-18)12-7-14-21(16-20)17-8-6-9-17/h3-5,10-11,17H,2,6-9,12-16H2,1H3/p+1/t20-/m0/s1