N-(3-ethanoylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H20N4OS/c1-14(23)15-5-4-6-16(13-15)20-18(24)22-11-9-21(10-12-22)17-7-2-3-8-19-17/h2-8,13H,9-12H2,1H3,(H,20,24)/p+1