1-(3-chloranyl-4-methoxy-phenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea CAS Name: 1-(3-chloro-4-methoxyphenyl)-3-[[1-(1-phenylethyl)-3-pyrrolidin-1-iumyl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-3-[[1-(1-phenylethyl)pyrrolidin-1-ium-3-yl]methyl]thiourea Formula: C21H27ClN3OS+ MolecularWeight: 404.97658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCC(C2)CNC(=S)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)[NH+]2CCC(C2)CNC(=S)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-15(17-6-4-3-5-7-17)25-11-10-16(14-25)13-23-21(27)24-18-8-9-20(26-2)19(22)12-18/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H2,23,24,27)/p+1