(3,5-dimethoxyphenyl)methyl-[1-[(5S)-2,4,6-tris(oxidanylidene)-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[1-[(5S)-2,4,6-tris(oxidanylidene)-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium Openeye Name: 1-[(5S)-1-allyl-2,4,6-trioxo-hexahydropyrimidin-5-yl]vinyl-[(3,5-dimethoxyphenyl)methyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[1-[(5S)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[1-[(5S)-2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-yl]ethenyl]azanium Traditional Name: 1-[(5S)-1-allyl-2,4,6-triketo-hexahydropyrimidin-5-yl]vinyl-(3,5-dimethoxybenzyl)ammonium Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]C(=C)C2C(=O)NC(=O)N(C2=O)CC=C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+]C(=C)[C@H]2C(=O)NC(=O)N(C2=O)CC=C)OC

InChI

InChI=1S/C18H21N3O5/c1-5-6-21-17(23)15(16(22)20-18(21)24)11(2)19-10-12-7-13(25-3)9-14(8-12)26-4/h5,7-9,15,19H,1-2,6,10H2,3-4H3,(H,20,22,24)/p+1/t15-/m0/s1