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

Systemtic Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N4O2/c1-2-26-16-11-9-15(10-12-16)19-8-5-13-23(19)14-24-20(25)17-6-3-4-7-18(17)21-22-24/h3-4,6-7,9-12,19H,2,5,8,13-14H2,1H3/p+1/t19-/m1/s1