3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-pyridin-4-one

Systemtic Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-pyridin-4-one Openeye Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-pyridin-4-one CAS Name: 3-[[4-(1-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-4-pyridinone IUPAC Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpyridin-4-one Traditional Name: 3-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-2-ethyl-6-methyl-1-p-anisyl-4-pyridone Formula: C31H42N3O3+ MolecularWeight: 504.68348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C(N1CC2=CC=C(C=C2)OC)C)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC1=C(C(=O)C=C(N1CC2=CC=C(C=C2)OC)C)C(=O)N3CC[NH+](CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H41N3O3/c1-4-27-29(28(35)13-21(2)34(27)20-22-5-7-26(37-3)8-6-22)30(36)32-9-11-33(12-10-32)31-17-23-14-24(18-31)16-25(15-23)19-31/h5-8,13,23-25H,4,9-12,14-20H2,1-3H3/p+1