1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-homoveratryl-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C16H27N4O2S+ MolecularWeight: 339.47618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H26N4O2S/c1-19-8-10-20(11-9-19)18-16(23)17-7-6-13-4-5-14(21-2)15(12-13)22-3/h4-5,12H,6-11H2,1-3H3,(H2,17,18,23)/p+1