N-(3,4-dimethoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C18H22N4O2S/c1-23-15-7-6-14(13-16(15)24-2)20-18(25)22-11-9-21(10-12-22)17-5-3-4-8-19-17/h3-8,13H,9-12H2,1-2H3,(H,20,25)/p+1