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

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(2,1,3-benzoxadiazol-5-ylmethyl)azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(2,1,3-benzoxadiazol-5-ylmethyl)ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-(2,1,3-benzoxadiazol-5-ylmethyl)ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(2,1,3-benzoxadiazol-5-ylmethyl)azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(benzofurazan-5-ylmethyl)ammonium Formula: C20H27N5O+2 MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=NON=C4C=C3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H25N5O/c1-2-4-11-25(12-5-3-1)20-17(7-6-10-22-20)15-21-14-16-8-9-18-19(13-16)24-26-23-18/h6-10,13,21H,1-5,11-12,14-15H2/p+2