N-(3-chloranyl-4-methyl-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C18H22ClN4S+ MolecularWeight: 361.91208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C18H21ClN4S/c1-14-2-3-16(12-17(14)19)21-18(24)23-10-8-22(9-11-23)13-15-4-6-20-7-5-15/h2-7,12H,8-11,13H2,1H3,(H,21,24)/p+1