N-tert-butyl-1-(3-methylbutyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-tert-butyl-1-(3-methylbutyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-isopentyl-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-tert-butyl-1-(3-methylbutyl)-5-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-(3-methylbutyl)-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: N-tert-butyl-1-isoamyl-4-keto-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]nicotinamide Formula: C26H38N5O3+ MolecularWeight: 468.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC(C)(C)C)CCC(C)C

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC(C)(C)C)CCC(C)C

InChI

InChI=1S/C26H37N5O3/c1-18(2)10-11-29-16-20(24(33)28-26(4,5)6)23(32)21(17-29)25(34)31-14-12-30(13-15-31)22-9-7-8-19(3)27-22/h7-9,16-18H,10-15H2,1-6H3,(H,28,33)/p+1