3-[(4-ethanoyl-2,6-dimethyl-phenyl)amino]-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one

Systemtic Name: 3-[(4-ethanoyl-2,6-dimethyl-phenyl)amino]-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one Openeye Name: 3-(4-acetyl-2,6-dimethyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one CAS Name: 3-(4-acetyl-2,6-dimethylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-2-pyrazin-1-iumone IUPAC Name: 3-(4-acetyl-2,6-dimethylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methylpyrazin-1-ium-2-one Traditional Name: 3-(4-acetyl-2,6-dimethyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C)C(=O)C

InChI

InChI=1S/C21H29N3O4/c1-14-10-18(17(4)25)11-15(2)19(14)23-20-21(26)24(13-28-6,8-7-9-27-5)12-16(3)22-20/h10-12H,7-9,13H2,1-6H3/p+1