2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide CAS Name: 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-keto-1,2,3-benzotriazin-3-yl)acetamide Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c26-19(14-25-20(27)17-8-4-5-9-18(17)22-23-25)21-16-10-11-24(13-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,26)/p+1/t16-/m1/s1