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

Systemtic Name: 5-chloranyl-3-[(2-methoxy-4,6-dimethyl-phenyl)amino]-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one Openeye Name: 5-chloro-3-(2-methoxy-4,6-dimethyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one CAS Name: 5-chloro-3-(2-methoxy-4,6-dimethylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-2-pyrazin-1-iumone IUPAC Name: 5-chloro-3-(2-methoxy-4,6-dimethylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one Traditional Name: 5-chloro-3-(2-methoxy-4,6-dimethyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)pyrazin-1-ium-2-one Formula: C19H27ClN3O4+ MolecularWeight: 396.88838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN3O4/c1-13-9-14(2)17(15(10-13)27-5)22-18-19(24)23(12-26-4,7-6-8-25-3)11-16(20)21-18/h9-11H,6-8,12H2,1-5H3,(H,21,22)/q+1