(4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-(furan-2-yl)ethylamino]pyridin-1-ium-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-(furan-2-yl)ethylamino]pyridin-1-ium-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-(2-furyl)ethylamino]pyridin-1-ium-3-yl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-(2-furanyl)ethylamino]-3-pyridin-1-iumyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-(furan-2-yl)ethylamino]pyridin-1-ium-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-4-ium-1-yl)-[6-[2-(2-furyl)ethylamino]pyridin-1-ium-3-yl]methanone Formula: C23H34N4O2+2 MolecularWeight: 398.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=C[NH+]=C(C=C3)NCCC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCCN(CC2)C(=O)C3=C[NH+]=C(C=C3)NCCC4=CC=CO4

InChI

InChI=1S/C23H32N4O2/c28-23(27-14-5-13-26(15-16-27)20-6-2-1-3-7-20)19-9-10-22(25-18-19)24-12-11-21-8-4-17-29-21/h4,8-10,17-18,20H,1-3,5-7,11-16H2,(H,24,25)/p+2