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

Systemtic Name: [2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl-(4-pyridylmethyl)ammonium Formula: C21H26N6+2 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C[NH2+]CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=C(C=CC=N3)C[NH2+]CC4=CC=NC=C4

InChI

InChI=1S/C21H24N6/c1-2-8-24-20(5-1)26-12-14-27(15-13-26)21-19(4-3-9-25-21)17-23-16-18-6-10-22-11-7-18/h1-11,23H,12-17H2/p+2