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

Systemtic Name: N-(2-methylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(o-tolyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(o-tolyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4S/c1-14-6-2-3-7-15(14)19-17(22)21-12-10-20(11-13-21)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3,(H,19,22)/p+1