ethyl 1-(4-phenoxybutyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(4-phenoxybutyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(4-phenoxybutyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(4-phenoxybutyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-phenoxybutyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-phenoxybutyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCCOC2=CC=CC=C2

InChI

InChI=1S/C18H27NO3/c1-2-21-18(20)16-10-13-19(14-11-16)12-6-7-15-22-17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3/p+1