N-(2-ethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H22N4S/c1-2-15-7-3-4-8-16(15)20-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h3-10H,2,11-14H2,1H3,(H,20,23)/p+1