[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl-(3-pyridylmethyl)ammonium Formula: C20H24N4+2 MolecularWeight: 320.43136

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CN=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C20H22N4/c1-24(16-17-7-3-2-4-8-17)20-19(10-6-12-23-20)15-22-14-18-9-5-11-21-13-18/h2-13,22H,14-16H2,1H3/p+2