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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

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