3-(azocan-1-ium-1-ylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(azocan-1-ium-1-ylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(azocan-1-ium-1-ylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-(1-azocan-1-iumylmethyl)-1,2,3-benzotriazin-4-one IUPAC Name: 3-(azocan-1-ium-1-ylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-(azocan-1-ium-1-ylmethyl)-1,2,3-benzotriazin-4-one Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCC[NH+](CCC1)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H20N4O/c20-15-13-8-4-5-9-14(13)16-17-19(15)12-18-10-6-2-1-3-7-11-18/h4-5,8-9H,1-3,6-7,10-12H2/p+1