1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C17H28N3O2S+ MolecularWeight: 338.48812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=S)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C17H27N3O2S/c1-4-9-20-10-7-13(8-11-20)18-17(23)19-14-5-6-15(21-2)16(12-14)22-3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,18,19,23)/p+1