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

Systemtic Name: 1-(4-phenylbutyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Openeye Name: 1-(4-phenylbutyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea CAS Name: 1-(4-phenylbutyl)-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(4-phenylbutyl)-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]urea Traditional Name: 1-(4-phenylbutyl)-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]urea Formula: C21H29N4O+ MolecularWeight: 353.48116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NCCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O/c26-21(23-12-5-4-10-18-8-2-1-3-9-18)24-17-19-11-13-22-20(16-19)25-14-6-7-15-25/h1-3,8-9,11,13,16H,4-7,10,12,14-15,17H2,(H2,23,24,26)/p+1