3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-phenyl-2H-1,2,4-triazin-4-ium-5-one

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-phenyl-2H-1,2,4-triazin-4-ium-5-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-phenyl-2H-1,2,4-triazin-4-ium-5-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-phenyl-2H-1,2,4-triazin-4-ium-5-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-phenyl-2H-1,2,4-triazin-4-ium-5-one Traditional Name: 3-(homoveratrylamino)-4-methyl-6-phenyl-2H-1,2,4-triazin-4-ium-5-one Formula: C20H23N4O3+ MolecularWeight: 367.42162

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NN=C(C1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[N+]1=C(NN=C(C1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H22N4O3/c1-24-19(25)18(15-7-5-4-6-8-15)22-23-20(24)21-12-11-14-9-10-16(26-2)17(13-14)27-3/h4-10,13H,11-12H2,1-3H3,(H,21,23,25)/p+1