ethyl (3S)-1-[4-(2-methylphenoxy)butyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(2-methylphenoxy)butyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(2-methylphenoxy)butyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[4-(2-methylphenoxy)butyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(2-methylphenoxy)butyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(2-methylphenoxy)butyl]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)CCCCOC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCCOC2=CC=CC=C2C

InChI

InChI=1S/C19H29NO3/c1-3-22-19(21)17-10-8-13-20(15-17)12-6-7-14-23-18-11-5-4-9-16(18)2/h4-5,9,11,17H,3,6-8,10,12-15H2,1-2H3/p+1/t17-/m0/s1