3-(3-chloranyl-4-methoxy-phenyl)-1-propan-2-yl-1-(2-pyridin-1-ium-4-ylethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-1-propan-2-yl-1-(2-pyridin-1-ium-4-ylethyl)thiourea Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-1-isopropyl-1-(2-pyridin-1-ium-4-ylethyl)thiourea CAS Name: 3-(3-chloro-4-methoxyphenyl)-1-propan-2-yl-1-[2-(4-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-1-propan-2-yl-1-(2-pyridin-1-ium-4-ylethyl)thiourea Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-1-isopropyl-1-(2-pyridin-1-ium-4-ylethyl)thiourea Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC1=CC=[NH+]C=C1)C(=S)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)N(CCC1=CC=[NH+]C=C1)C(=S)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H22ClN3OS/c1-13(2)22(11-8-14-6-9-20-10-7-14)18(24)21-15-4-5-17(23-3)16(19)12-15/h4-7,9-10,12-13H,8,11H2,1-3H3,(H,21,24)/p+1