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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S/c1-4-21-11-8-15(9-12-21)20-18(24)19-10-7-14-5-6-16(22-2)17(13-14)23-3/h5-6,13,15H,4,7-12H2,1-3H3,(H2,19,20,24)/p+1