2,1,3-benzoxadiazol-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: benzofurazan-5-ylmethyl-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]ammonium Formula: C19H26N6O+2 MolecularWeight: 354.44934

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC4=NON=C4C=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C19H24N6O/c1-24-8-3-9-25(11-10-24)19-16(4-2-7-21-19)14-20-13-15-5-6-17-18(12-15)23-26-22-17/h2,4-7,12,20H,3,8-11,13-14H2,1H3/p+2