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

Systemtic Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-(cyclohexylmethyl)-N-cyclopropyl-4-keto-5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]nicotinamide Formula: C29H39N4O3+ MolecularWeight: 491.64496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC4CC4)CC5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(C=C(C3=O)C(=O)NC4CC4)CC5CCCCC5

InChI

InChI=1S/C29H38N4O3/c1-21-6-5-9-23(16-21)18-31-12-14-33(15-13-31)29(36)26-20-32(17-22-7-3-2-4-8-22)19-25(27(26)34)28(35)30-24-10-11-24/h5-6,9,16,19-20,22,24H,2-4,7-8,10-15,17-18H2,1H3,(H,30,35)/p+1