1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(3-methoxyphenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NC2=CC(=CC=C2)OC)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NC2=CC(=CC=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O2S/c1-25-18-10-8-16(9-11-18)20(24-12-3-4-13-24)15-22-21(27)23-17-6-5-7-19(14-17)26-2/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H2,22,23,27)/p+1/t20-/m0/s1