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

Systemtic Name: 1-cyclohexyl-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-cyclohexyl-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-cyclohexyl-3-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-cyclohexyl-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-cyclohexyl-3-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiourea Formula: C20H32N3OS+ MolecularWeight: 362.55258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=S)NC2CCCCC2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=S)NC2CCCCC2)[NH+]3CCCC3

InChI

InChI=1S/C20H31N3OS/c1-24-19-12-6-5-11-17(19)18(23-13-7-8-14-23)15-21-20(25)22-16-9-3-2-4-10-16/h5-6,11-12,16,18H,2-4,7-10,13-15H2,1H3,(H2,21,22,25)/p+1/t18-/m0/s1