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

Systemtic Name: 3-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-5-chloranyl-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one Openeye Name: 3-(4-bromo-2,6-dimethyl-anilino)-5-chloro-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one CAS Name: 3-(4-bromo-2,6-dimethylanilino)-5-chloro-1-(methoxymethyl)-1-(3-methoxypropyl)-2-pyrazin-1-iumone IUPAC Name: 3-(4-bromo-2,6-dimethylanilino)-5-chloro-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one Traditional Name: 3-(4-bromo-2,6-dimethyl-anilino)-5-chloro-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one Formula: C18H24BrClN3O3+ MolecularWeight: 445.75846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrClN3O3/c1-12-8-14(19)9-13(2)16(12)22-17-18(24)23(11-26-4,6-5-7-25-3)10-15(20)21-17/h8-10H,5-7,11H2,1-4H3,(H,21,22)/q+1