N-(3,4-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C19H25N4S+ MolecularWeight: 341.4936

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4S/c1-15-3-4-18(13-16(15)2)21-19(24)23-11-9-22(10-12-23)14-17-5-7-20-8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,21,24)/p+1