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

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-chloranyl-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one Openeye Name: 3-(4-bromo-2,6-dimethyl-anilino)-5-chloro-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one CAS Name: 3-(4-bromo-2,6-dimethylanilino)-5-chloro-1-(2-methoxyethyl)-1-(methoxymethyl)-2-pyrazin-1-iumone IUPAC Name: 3-(4-bromo-2,6-dimethylanilino)-5-chloro-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one Traditional Name: 3-(4-bromo-2,6-dimethyl-anilino)-5-chloro-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one Formula: C17H22BrClN3O3+ MolecularWeight: 431.73188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrClN3O3/c1-11-7-13(18)8-12(2)15(11)21-16-17(23)22(10-25-4,5-6-24-3)9-14(19)20-16/h7-9H,5-6,10H2,1-4H3,(H,20,21)/q+1