(4-azanyl-1,6-dimethyl-pyridin-1-ium-3-yl)methyl benzoate perchlorate

Systemtic Name: (4-azanyl-1,6-dimethyl-pyridin-1-ium-3-yl)methyl benzoate perchlorate Openeye Name: (4-amino-1,6-dimethyl-pyridin-1-ium-3-yl)methyl benzoate perchlorate CAS Name: benzoic acid (4-amino-1,6-dimethyl-3-pyridin-1-iumyl)methyl ester perchlorate IUPAC Name: (4-amino-1,6-dimethylpyridin-1-ium-3-yl)methyl benzoate perchlorate Traditional Name: benzoic acid (4-amino-1,6-dimethyl-pyridin-1-ium-3-yl)methyl ester perchlorate Formula: C15H17ClN2O6 MolecularWeight: 356.75828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O2.ClHO4/c1-11-8-14(16)13(9-17(11)2)10-19-15(18)12-6-4-3-5-7-12;2-1(3,4)5/h3-9,16H,10H2,1-2H3;(H,2,3,4,5)