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

Systemtic Name: 5-chloranyl-3-[(2-methoxy-4,6-dimethyl-phenyl)amino]-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one Openeye Name: 5-chloro-3-(2-methoxy-4,6-dimethyl-anilino)-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one CAS Name: 5-chloro-3-(2-methoxy-4,6-dimethylanilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-2-pyrazin-1-iumone IUPAC Name: 5-chloro-3-(2-methoxy-4,6-dimethylanilino)-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one Traditional Name: 5-chloro-3-(2-methoxy-4,6-dimethyl-anilino)-1-(2-methoxyethyl)-1-(methoxymethyl)pyrazin-1-ium-2-one Formula: C18H25ClN3O4+ MolecularWeight: 382.8618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)NC2=NC(=C[N+](C2=O)(CCOC)COC)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)NC2=NC(=C[N+](C2=O)(CCOC)COC)Cl)C

InChI

InChI=1S/C18H25ClN3O4/c1-12-8-13(2)16(14(9-12)26-5)21-17-18(23)22(11-25-4,6-7-24-3)10-15(19)20-17/h8-10H,6-7,11H2,1-5H3,(H,20,21)/q+1