1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-homoveratryl-3-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C18H30N3O2S+ MolecularWeight: 352.5147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC[NH+]2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC[NH+]2CCCCC2)OC

InChI

InChI=1S/C18H29N3O2S/c1-22-16-7-6-15(14-17(16)23-2)8-9-19-18(24)20-10-13-21-11-4-3-5-12-21/h6-7,14H,3-5,8-13H2,1-2H3,(H2,19,20,24)/p+1