ethyl 4-(2-phenoxyethyl)-1-(thian-4-yl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(thian-4-yl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-(4-thianyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(thian-4-yl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO3S+ MolecularWeight: 378.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCSCC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CCSCC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H31NO3S/c1-2-24-20(23)21(12-15-25-19-6-4-3-5-7-19)10-13-22(14-11-21)18-8-16-26-17-9-18/h3-7,18H,2,8-17H2,1H3/p+1