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

Systemtic Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C20H25ClN3OS+ MolecularWeight: 390.95

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3OS/c1-25-18-10-4-15(5-11-18)19(24-12-2-3-13-24)14-22-20(26)23-17-8-6-16(21)7-9-17/h4-11,19H,2-3,12-14H2,1H3,(H2,22,23,26)/p+1/t19-/m0/s1