1-[(2-chlorophenyl)methyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[(2-chlorophenyl)methyl]-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(2-chlorobenzyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C21H27ClN3O+ MolecularWeight: 372.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26ClN3O/c22-20-7-3-2-6-19(20)15-24-21(26)23-14-17-8-10-18(11-9-17)16-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2,(H2,23,24,26)/p+1