ethyl 4-[(4-chlorophenyl)methyl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[(3S)-3-thiolanyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(4-chlorobenzyl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27ClNO2S+ MolecularWeight: 368.94118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCSC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H]2CCSC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClNO2S/c1-2-23-18(22)19(13-15-3-5-16(20)6-4-15)8-10-21(11-9-19)17-7-12-24-14-17/h3-6,17H,2,7-14H2,1H3/p+1/t17-/m0/s1