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

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one Openeye Name: 3-(4-bromo-2,6-dimethyl-anilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one CAS Name: 3-(4-bromo-2,6-dimethylanilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-2-pyrazin-1-iumone IUPAC Name: 3-(4-bromo-2,6-dimethylanilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methylpyrazin-1-ium-2-one Traditional Name: 3-(4-bromo-2,6-dimethyl-anilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one Formula: C18H25BrN3O3+ MolecularWeight: 411.3134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN3O3/c1-12-8-15(19)9-13(2)16(12)21-17-18(23)22(11-25-5,6-7-24-4)10-14(3)20-17/h8-10H,6-7,11H2,1-5H3,(H,20,21)/q+1