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

Systemtic Name: N5-(3-methylbutyl)-N3-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3,5-dicarboxamide Openeye Name: 1-isobutyl-N5-isopentyl-N3-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-4-oxo-pyridine-3,5-dicarboxamide CAS Name: N5-(3-methylbutyl)-N3-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide IUPAC Name: 5-N-(3-methylbutyl)-3-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide Traditional Name: N'-isoamyl-1-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)CCNC(=O)C1=CN(C=C(C1=O)C(=O)NCC2CCC[NH+](C2)C)CC(C)C

Isomeric SMILES

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

InChI

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