N,N'-bis(3-methylpyridin-1-ium-2-yl)-1-pyridin-3-yl-methanediamine

Systemtic Name: N,N'-bis(3-methylpyridin-1-ium-2-yl)-1-pyridin-3-yl-methanediamine Openeye Name: N,N'-bis(3-methylpyridin-1-ium-2-yl)-1-(3-pyridyl)methanediamine CAS Name: N,N'-bis(3-methyl-2-pyridin-1-iumyl)-1-(3-pyridinyl)methanediamine IUPAC Name: N,N'-bis(3-methylpyridin-1-ium-2-yl)-1-pyridin-3-ylmethanediamine Traditional Name: (3-methylpyridin-1-ium-2-yl)-[[(3-methylpyridin-1-ium-2-yl)amino]-(3-pyridyl)methyl]amine Formula: C18H21N5+2 MolecularWeight: 307.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC=C1)NC(C2=CN=CC=C2)NC3=C(C=CC=[NH+]3)C

Isomeric SMILES

CC1=C([NH+]=CC=C1)NC(C2=CN=CC=C2)NC3=C(C=CC=[NH+]3)C

InChI

InChI=1S/C18H19N5/c1-13-6-3-10-20-16(13)22-18(15-8-5-9-19-12-15)23-17-14(2)7-4-11-21-17/h3-12,18H,1-2H3,(H,20,22)(H,21,23)/p+2