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

Systemtic Name: 5-chloranyl-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-2-carboxamide Formula: C19H24ClN2OS+ MolecularWeight: 363.92466

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN2OS/c1-21(19(23)17-9-10-18(20)24-17)16-8-5-12-22(14-16)13-11-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3/p+1/t16-/m0/s1