5-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]carbonyl-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]carbonyl-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-isobutyl-1-isopentyl-5-[4-(2-methoxyethyl)piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-(2-methoxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-[4-(2-methoxyethyl)piperazin-4-ium-1-carbonyl]-1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 1-isoamyl-N-isobutyl-4-keto-5-[4-(2-methoxyethyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C23H39N4O4+ MolecularWeight: 435.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CCOC)C(=O)NCC(C)C

Isomeric SMILES

CC(C)CCN1C=C(C(=O)C(=C1)C(=O)N2CC[NH+](CC2)CCOC)C(=O)NCC(C)C

InChI

InChI=1S/C23H38N4O4/c1-17(2)6-7-26-15-19(22(29)24-14-18(3)4)21(28)20(16-26)23(30)27-10-8-25(9-11-27)12-13-31-5/h15-18H,6-14H2,1-5H3,(H,24,29)/p+1