1-[(2-chlorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-[(2-chlorophenyl)methyl]-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-(2-chlorobenzyl)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C18H22ClN4O+ MolecularWeight: 345.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN4O/c19-16-6-2-1-5-15(16)13-22-18(24)21-12-14-7-8-20-17(11-14)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12-13H2,(H2,21,22,24)/p+1