[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[(1-methyl-2-imidazolyl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(1-methylimidazol-2-yl)methyl]ammonium Formula: C18H29N5+2 MolecularWeight: 315.45636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CN1C=CN=C1C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C18H27N5/c1-22-13-10-20-17(22)15-19-14-16-8-7-9-21-18(16)23-11-5-3-2-4-6-12-23/h7-10,13,19H,2-6,11-12,14-15H2,1H3/p+2