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

Systemtic Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-yl]carbonyl-2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)pyridin-4-one Openeye Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-carbonyl]-2-(methoxymethyl)-6-methyl-1-(1-naphthylmethyl)pyridin-4-one CAS Name: 3-[[4-(2-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-2-(methoxymethyl)-6-methyl-1-(1-naphthalenylmethyl)-4-pyridinone IUPAC Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-carbonyl]-2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)pyridin-4-one Traditional Name: 3-[4-(2-adamantyl)piperazin-4-ium-1-carbonyl]-2-(methoxymethyl)-6-methyl-1-(1-naphthylmethyl)-4-pyridone Formula: C34H42N3O3+ MolecularWeight: 540.71558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=CC3=CC=CC=C32)COC)C(=O)N4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC3=CC=CC=C32)COC)C(=O)N4CC[NH+](CC4)C5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C34H41N3O3/c1-22-14-31(38)32(30(21-40-2)37(22)20-26-8-5-7-25-6-3-4-9-29(25)26)34(39)36-12-10-35(11-13-36)33-27-16-23-15-24(18-27)19-28(33)17-23/h3-9,14,23-24,27-28,33H,10-13,15-21H2,1-2H3/p+1