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

Systemtic Name: ethyl (3S)-1-[4-(4-cyanophenoxy)butyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(4-cyanophenoxy)butyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[4-(4-cyanophenoxy)butyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(4-cyanophenoxy)butyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(4-cyanophenoxy)butyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H26N2O3/c1-2-23-19(22)17-6-5-12-21(15-17)11-3-4-13-24-18-9-7-16(14-20)8-10-18/h7-10,17H,2-6,11-13,15H2,1H3/p+1/t17-/m0/s1