N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-ethanoyl-thiophene-3-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-ethanoyl-thiophene-3-carboxamide Openeye Name: 5-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]thiophene-3-carboxamide Formula: C19H22ClN2O2S+ MolecularWeight: 377.90818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O2S/c1-13(23)18-9-15(12-25-18)19(24)21-17-3-2-8-22(11-17)10-14-4-6-16(20)7-5-14/h4-7,9,12,17H,2-3,8,10-11H2,1H3,(H,21,24)/p+1/t17-/m0/s1