3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C20H23N4O3+ MolecularWeight: 367.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=CC=CC=C4N=N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=CC=CC=C4N=N3)OC

InChI

InChI=1S/C20H22N4O3/c1-26-14-9-10-16(19(12-14)27-2)18-8-5-11-23(18)13-24-20(25)15-6-3-4-7-17(15)21-22-24/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3/p+1/t18-/m1/s1