1-[[6-(octoxymethyl)pyridin-2-yl]methyl]-3-oxidanidyl-benzotriazol-3-ium

Systemtic Name: 1-[[6-(octoxymethyl)pyridin-2-yl]methyl]-3-oxidanidyl-benzotriazol-3-ium Openeye Name: 1-[[6-(octoxymethyl)-2-pyridyl]methyl]-3-oxido-benzotriazol-3-ium CAS Name: 1-[[6-(octoxymethyl)-2-pyridinyl]methyl]-3-oxidobenzotriazol-3-ium IUPAC Name: 1-[[6-(octoxymethyl)pyridin-2-yl]methyl]-3-oxidobenzotriazol-3-ium Traditional Name: 1-[[6-(octoxymethyl)-2-pyridyl]methyl]-3-oxido-benzotriazol-3-ium Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC1=CC=CC(=N1)CN2C3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CCCCCCCCOCC1=CC=CC(=N1)CN2C3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C21H28N4O2/c1-2-3-4-5-6-9-15-27-17-19-12-10-11-18(22-19)16-24-20-13-7-8-14-21(20)25(26)23-24/h7-8,10-14H,2-6,9,15-17H2,1H3