2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethylazanium

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethylazanium Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]ethylammonium CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]ethylammonium IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1H-pyrimidin-6-yl]ethylazanium Traditional Name: 2-(4-keto-2-veratryl-1H-pyrimidin-6-yl)ethylammonium Formula: C15H20N3O3+ MolecularWeight: 290.3376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=O)C=C(N2)CC[NH3+])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=O)C=C(N2)CC[NH3+])OC

InChI

InChI=1S/C15H19N3O3/c1-20-12-4-3-10(7-13(12)21-2)8-14-17-11(5-6-16)9-15(19)18-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18,19)/p+1