N-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(p-tolyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-methylphenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-methylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(p-tolyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4S/c1-15-2-4-17(5-3-15)20-18(23)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23)/p+1