(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H18N5O3+ MolecularWeight: 352.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H17N5O3/c24-17-13-6-1-2-8-15(13)20-21-23(17)12-26-18(25)14-7-5-9-19-16(14)22-10-3-4-11-22/h1-2,5-9H,3-4,10-12H2/p+1