ethyl 1-[4-(2-cyanophenoxy)butyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[4-(2-cyanophenoxy)butyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[4-(2-cyanophenoxy)butyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[4-(2-cyanophenoxy)butyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-cyanophenoxy)butyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-(2-cyanophenoxy)butyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C19H26N2O3/c1-2-23-19(22)16-9-12-21(13-10-16)11-5-6-14-24-18-8-4-3-7-17(18)15-20/h3-4,7-8,16H,2,5-6,9-14H2,1H3/p+1