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

Systemtic Name: 5-ethanoyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Openeye Name: 5-acetyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-16(24)20-13-18(15-26-20)21(25)22(2)19-9-6-11-23(14-19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,6,9-12,14H2,1-2H3/p+1/t19-/m0/s1