ethyl 4-(2-phenoxyethyl)-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[(3S)-3-thiolanyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H30NO3S+ MolecularWeight: 364.5221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCSC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H]2CCSC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H29NO3S/c1-2-23-19(22)20(11-14-24-18-6-4-3-5-7-18)9-12-21(13-10-20)17-8-15-25-16-17/h3-7,17H,2,8-16H2,1H3/p+1/t17-/m0/s1