1-(5-chloranyl-2-methyl-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C19H23ClN3O+ MolecularWeight: 344.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C19H22ClN3O/c1-14-4-7-16(20)12-18(14)22-19(24)21-17-8-5-15(6-9-17)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13H2,1H3,(H2,21,22,24)/p+1