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

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-[(3S)-3-thiolanyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32NO2S+ MolecularWeight: 362.54928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CCSC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H]2CCSC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO2S/c1-2-24-20(23)21(11-6-9-18-7-4-3-5-8-18)12-14-22(15-13-21)19-10-16-25-17-19/h3-5,7-8,19H,2,6,9-17H2,1H3/p+1/t19-/m0/s1