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

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)NCC(C2=CC=CC=C2OC)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)NC[C@@H](C2=CC=CC=C2OC)[NH+]3CCCC3

InChI

InChI=1S/C23H31N3O2S/c1-27-19-11-9-18(10-12-19)13-14-24-23(29)25-17-21(26-15-5-6-16-26)20-7-3-4-8-22(20)28-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H2,24,25,29)/p+1/t21-/m0/s1