N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)pent-4-enamide

Systemtic Name: N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)pent-4-enamide Openeye Name: N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)pent-4-enamide CAS Name: N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-N-(pyridin-4-ylmethyl)-4-pentenamide IUPAC Name: N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)pent-4-enamide Traditional Name: N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)pent-4-enamide Formula: C23H38N4O+2 MolecularWeight: 386.57402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)CCC=C

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)CCC=C

InChI

InChI=1S/C23H36N4O/c1-3-4-5-23(28)27(18-20-6-12-24-13-7-20)19-21-8-16-26(17-9-21)22-10-14-25(2)15-11-22/h3,6-7,12-13,21-22H,1,4-5,8-11,14-19H2,2H3/p+2