ethyl 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(2-thienylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(thiophen-2-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(2-thenyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28NO3S+ MolecularWeight: 374.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CS2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CS2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3S/c1-2-24-20(23)21(12-15-25-18-7-4-3-5-8-18)10-13-22(14-11-21)17-19-9-6-16-26-19/h3-9,16H,2,10-15,17H2,1H3/p+1