1-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(furan-2-ylmethyl)urea

Systemtic Name: 1-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(furan-2-ylmethyl)urea Openeye Name: 1-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(2-furylmethyl)urea CAS Name: 1-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-3-(2-furanylmethyl)urea IUPAC Name: 1-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(furan-2-ylmethyl)urea Traditional Name: 1-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(2-furfuryl)urea Formula: C19H27N4O2+ MolecularWeight: 343.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H26N4O2/c24-19(22-15-17-9-7-13-25-17)21-14-16-8-6-10-20-18(16)23-11-4-2-1-3-5-12-23/h6-10,13H,1-5,11-12,14-15H2,(H2,21,22,24)/p+1