1-(cyclohexylmethyl)-2-(methoxymethyl)-6-methyl-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one

Systemtic Name: 1-(cyclohexylmethyl)-2-(methoxymethyl)-6-methyl-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 1-(cyclohexylmethyl)-2-(methoxymethyl)-6-methyl-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one CAS Name: 1-(cyclohexylmethyl)-2-(methoxymethyl)-6-methyl-3-[oxo-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridinone IUPAC Name: 1-(cyclohexylmethyl)-2-(methoxymethyl)-6-methyl-3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one Traditional Name: 1-(cyclohexylmethyl)-2-(methoxymethyl)-6-methyl-3-[4-(2-pyridylmethyl)piperazin-4-ium-1-carbonyl]-4-pyridone Formula: C26H37N4O3+ MolecularWeight: 453.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2CCCCC2)COC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2CCCCC2)COC)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H36N4O3/c1-20-16-24(31)25(23(19-33-2)30(20)17-21-8-4-3-5-9-21)26(32)29-14-12-28(13-15-29)18-22-10-6-7-11-27-22/h6-7,10-11,16,21H,3-5,8-9,12-15,17-19H2,1-2H3/p+1