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

Systemtic Name: N-(2,3-dimethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)C

InChI

InChI=1S/C18H22N4S/c1-14-6-5-7-16(15(14)2)20-18(23)22-12-10-21(11-13-22)17-8-3-4-9-19-17/h3-9H,10-13H2,1-2H3,(H,20,23)/p+1