[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methylpyridin-2-yl)methyl]azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methylpyridin-2-yl)methyl]azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methyl-2-pyridyl)methyl]ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-[(6-methyl-2-pyridinyl)methyl]ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methylpyridin-2-yl)methyl]azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-[(6-methyl-2-pyridyl)methyl]ammonium Formula: C20H30N4+2 MolecularWeight: 326.479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=CC=C1)C[NH2+]CC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H28N4/c1-17-9-7-11-19(23-17)16-21-15-18-10-8-12-22-20(18)24-13-5-3-2-4-6-14-24/h7-12,21H,2-6,13-16H2,1H3/p+2