ethyl 1-cyclopentyl-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-cyclopentyl-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-cyclopentyl-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-cyclopentyl-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopentyl-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-cyclopentyl-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO2+ MolecularWeight: 330.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO2/c1-2-24-20(23)21(13-12-18-8-4-3-5-9-18)14-16-22(17-15-21)19-10-6-7-11-19/h3-5,8-9,19H,2,6-7,10-17H2,1H3/p+1