butyl 4-(hydroxymethylcarbamoyl)-2-methyl-6-(4-methylpyrazine-1,4-diium-1-yl)octanoate

Systemtic Name: butyl 4-(hydroxymethylcarbamoyl)-2-methyl-6-(4-methylpyrazine-1,4-diium-1-yl)octanoate Openeye Name: butyl 4-(hydroxymethylcarbamoyl)-2-methyl-6-(4-methylpyrazine-1,4-diium-1-yl)octanoate CAS Name: 4-[(hydroxymethylamino)-oxomethyl]-2-methyl-6-(4-methyl-1-pyrazine-1,4-diiumyl)octanoic acid butyl ester IUPAC Name: butyl 4-(hydroxymethylcarbamoyl)-2-methyl-6-(4-methylpyrazine-1,4-diium-1-yl)octanoate Traditional Name: 2-methyl-4-(methylolcarbamoyl)-6-(4-methylpyrazine-1,4-diium-1-yl)caprylic acid butyl ester Formula: C20H35N3O4+2 MolecularWeight: 381.5096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)CC(CC(CC)[N+]1=CC=[N+](C=C1)C)C(=O)NCO

Isomeric SMILES

CCCCOC(=O)C(C)CC(CC(CC)[N+]1=CC=[N+](C=C1)C)C(=O)NCO

InChI

InChI=1S/C20H34N3O4/c1-5-7-12-27-20(26)16(3)13-17(19(25)21-15-24)14-18(6-2)23-10-8-22(4)9-11-23/h8-11,16-18,24H,5-7,12-15H2,1-4H3/q+1/p+1