N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2OS/c21-18(17-9-5-13-22-17)19-16-8-4-11-20(14-16)12-10-15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2,(H,19,21)/p+1/t16-/m0/s1