ethyl (3S)-1-[3-(2,3-dimethylphenoxy)propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(2,3-dimethylphenoxy)propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(2,3-dimethylphenoxy)propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[3-(2,3-dimethylphenoxy)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(2,3-dimethylphenoxy)propyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(2,3-dimethylphenoxy)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCOC2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=CC=CC(=C2C)C

InChI

InChI=1S/C19H29NO3/c1-4-22-19(21)17-9-6-11-20(14-17)12-7-13-23-18-10-5-8-15(2)16(18)3/h5,8,10,17H,4,6-7,9,11-14H2,1-3H3/p+1/t17-/m0/s1