N-(3-chloranyl-2-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-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=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

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