(6-methylpyridin-2-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (6-methylpyridin-2-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: (6-methyl-2-pyridyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: (6-methyl-2-pyridinyl)methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: (6-methylpyridin-2-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: (6-methyl-2-pyridyl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C22H28N6+2 MolecularWeight: 376.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N6/c1-18-6-4-8-20(26-18)17-23-16-19-7-5-11-25-22(19)28-14-12-27(13-15-28)21-9-2-3-10-24-21/h2-11,23H,12-17H2,1H3/p+2