N-(2-chloranyl-4,6-dimethyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Formula: C18H22ClN4S+ MolecularWeight: 361.91208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4S/c1-13-11-14(2)17(16(19)12-13)21-18(24)23-9-7-22(8-10-23)15-3-5-20-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,21,24)/p+1