N-(3-ethylphenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(4-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-ethylphenyl)-4-pyridin-1-ium-4-ylpiperazine-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-pyridin-1-ium-4-yl-piperazine-1-carbothioamide Formula: C18H23N4S+ MolecularWeight: 327.46702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

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