N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-(2-thienyl)butanamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[[2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl]-4-(2-thienyl)butyramide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCCC3=CC=CS3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H26N4O2S/c1-16(25)23-10-12-24(13-11-23)20-17(5-3-9-21-20)15-22-19(26)8-2-6-18-7-4-14-27-18/h3-5,7,9,14H,2,6,8,10-13,15H2,1H3,(H,22,26)/p+1