N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-5-methyl-thiophene-2-carboxamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)NCC2=C([NH+]=CC=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H22N4O2S/c1-13-5-6-16(25-13)18(24)20-12-15-4-3-7-19-17(15)22-10-8-21(9-11-22)14(2)23/h3-7H,8-12H2,1-2H3,(H,20,24)/p+1