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(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

Systemtic Name:(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
Openeye Name:(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
CAS Name:4-(1-pyrrolidin-1-iumylmethyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
IUPAC Name:(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
Traditional Name:4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester
Formula: C20H21N4O3+
MolecularWeight: 365.40574
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3


Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3


InChI

InChI=1S/C20H20N4O3/c25-19-17-5-1-2-6-18(17)21-22-24(19)14-27-20(26)16-9-7-15(8-10-16)13-23-11-3-4-12-23/h1-2,5-10H,3-4,11-14H2/p+1


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