N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine CAS Name: N-[[2,5-dimethyl-4-[(2-pyridin-1-iumylamino)methyl]phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: [2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]benzyl]-pyridin-1-ium-2-yl-amine Formula: C20H24N4+2 MolecularWeight: 320.43136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CNC2=CC=CC=[NH+]2)C)CNC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1CNC2=CC=CC=[NH+]2)C)CNC3=CC=CC=[NH+]3

InChI

InChI=1S/C20H22N4/c1-15-11-18(14-24-20-8-4-6-10-22-20)16(2)12-17(15)13-23-19-7-3-5-9-21-19/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/p+2