1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine diperchlorate

Systemtic Name: 1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine diperchlorate Openeye Name: 1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethyl-pyridin-1-ium-4-amine diperchlorate CAS Name: 1-[1-benzotriazolyl-(4-methoxyphenyl)methyl]-N,N-dimethyl-4-pyridin-1-iumamine diperchlorate IUPAC Name: 1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]-N,N-dimethylpyridin-1-ium-4-amine diperchlorate Traditional Name: [1-[benzotriazol-1-yl-(4-methoxyphenyl)methyl]pyridin-1-ium-4-yl]-dimethyl-amine diperchlorate Formula: C21H22Cl2N5O9- MolecularWeight: 559.33348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(C2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=N3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H22N5O.2ClHO4/c1-24(2)17-12-14-25(15-13-17)21(16-8-10-18(27-3)11-9-16)26-20-7-5-4-6-19(20)22-23-26;2*2-1(3,4)5/h4-15,21H,1-3H3;2*(H,2,3,4,5)/q+1;;/p-2