1-cyclohexyl-N-cyclopropyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-cyclohexyl-N-cyclopropyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-cyclohexyl-N-cyclopropyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclohexyl-N-cyclopropyl-5-[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-cyclohexyl-N-cyclopropyl-5-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-cyclohexyl-N-cyclopropyl-4-keto-5-(4-m-anisylpiperazin-4-ium-1-carbonyl)nicotinamide Formula: C28H37N4O4+ MolecularWeight: 493.61778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC4CC4)C5CCCCC5

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC4CC4)C5CCCCC5

InChI

InChI=1S/C28H36N4O4/c1-36-23-9-5-6-20(16-23)17-30-12-14-31(15-13-30)28(35)25-19-32(22-7-3-2-4-8-22)18-24(26(25)33)27(34)29-21-10-11-21/h5-6,9,16,18-19,21-22H,2-4,7-8,10-15,17H2,1H3,(H,29,34)/p+1