[6-(octoxymethyl)pyridin-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-(octoxymethyl)pyridin-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-(octoxymethyl)-2-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-(octoxymethyl)-2-pyridinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-(octoxymethyl)pyridin-2-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-(octoxymethyl)-2-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC1=CC=CC(=N1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CCCCCCCCOCC1=CC=CC(=N1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C21H26N4O3/c1-2-3-4-5-6-9-15-28-16-17-11-10-12-18(22-17)21(26)24-19-13-7-8-14-20(19)25(27)23-24/h7-8,10-14H,2-6,9,15-16H2,1H3