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

Systemtic Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-(cyclohexylmethyl)-N-cyclopropyl-4-keto-5-[4-(6-methylpyridin-1-ium-2-yl)piperazine-1-carbonyl]nicotinamide Formula: C27H36N5O3+ MolecularWeight: 478.60644

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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)NC4CC4)CC5CCCCC5

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC4CC4)CC5CCCCC5

InChI

InChI=1S/C27H35N5O3/c1-19-6-5-9-24(28-19)31-12-14-32(15-13-31)27(35)23-18-30(16-20-7-3-2-4-8-20)17-22(25(23)33)26(34)29-21-10-11-21/h5-6,9,17-18,20-21H,2-4,7-8,10-16H2,1H3,(H,29,34)/p+1