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

Systemtic Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-p-anisyl-thiourea Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NCC(C2=CC=CC=C2Cl)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC[C@H](C2=CC=CC=C2Cl)[NH+]3CCCC3

InChI

InChI=1S/C21H26ClN3OS/c1-26-17-10-8-16(9-11-17)14-23-21(27)24-15-20(25-12-4-5-13-25)18-6-2-3-7-19(18)22/h2-3,6-11,20H,4-5,12-15H2,1H3,(H2,23,24,27)/p+1/t20-/m1/s1