1-(3-methylbutyl)-N5-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N3-(2-methylpropyl)-4-oxidanylidene-pyridine-3,5-dicarboxamide

Systemtic Name: 1-(3-methylbutyl)-N5-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N3-(2-methylpropyl)-4-oxidanylidene-pyridine-3,5-dicarboxamide Openeye Name: N3-isobutyl-1-isopentyl-N5-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: 1-(3-methylbutyl)-N5-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N3-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide IUPAC Name: 1-(3-methylbutyl)-5-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: 1-isoamyl-N-isobutyl-4-keto-N'-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]dinicotinamide Formula: C23H39N4O3+ MolecularWeight: 419.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NCC(C)C)C(=O)NCC2CCC[NH+](C2)C

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)NCC(C)C)C(=O)NC[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C23H38N4O3/c1-16(2)8-10-27-14-19(22(29)24-11-17(3)4)21(28)20(15-27)23(30)25-12-18-7-6-9-26(5)13-18/h14-18H,6-13H2,1-5H3,(H,24,29)(H,25,30)/p+1/t18-/m1/s1