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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]thiourea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]thiourea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-homoveratryl-thiourea Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O2S/c1-27-21-9-8-18(16-22(21)28-2)10-13-24-23(29)25-20-11-14-26(15-12-20)17-19-6-4-3-5-7-19/h3-9,16,20H,10-15,17H2,1-2H3,(H2,24,25,29)/p+1