N,N-dimethyl-1-[2-(4-methylpyridin-1-ium-1-yl)prop-2-enyl]pyridin-1-ium-4-amine diperchlorate

Systemtic Name: N,N-dimethyl-1-[2-(4-methylpyridin-1-ium-1-yl)prop-2-enyl]pyridin-1-ium-4-amine diperchlorate Openeye Name: N,N-dimethyl-1-[2-(4-methylpyridin-1-ium-1-yl)allyl]pyridin-1-ium-4-amine diperchlorate CAS Name: N,N-dimethyl-1-[2-(4-methyl-1-pyridin-1-iumyl)prop-2-enyl]-4-pyridin-1-iumamine diperchlorate IUPAC Name: N,N-dimethyl-1-[2-(4-methylpyridin-1-ium-1-yl)prop-2-enyl]pyridin-1-ium-4-amine diperchlorate Traditional Name: dimethyl-[1-[2-(4-methylpyridin-1-ium-1-yl)allyl]pyridin-1-ium-4-yl]amine diperchlorate Formula: C16H21Cl2N3O8 MolecularWeight: 454.25924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(=C)C[N+]2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=[N+](C=C1)C(=C)C[N+]2=CC=C(C=C2)N(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H21N3.2ClHO4/c1-14-5-11-19(12-6-14)15(2)13-18-9-7-16(8-10-18)17(3)4;2*2-1(3,4)5/h5-12H,2,13H2,1,3-4H3;2*(H,2,3,4,5)/q+2;;/p-2