N-(3-chloranyl-4-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Formula: C17H20ClN4S+ MolecularWeight: 347.8855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4S/c1-13-2-3-14(12-16(13)18)20-17(23)22-10-8-21(9-11-22)15-4-6-19-7-5-15/h2-7,12H,8-11H2,1H3,(H,20,23)/p+1