1-(phenylmethyl)pyridin-1-ium-3-carboxamide perchlorate

Systemtic Name: 1-(phenylmethyl)pyridin-1-ium-3-carboxamide perchlorate Openeye Name: 1-benzylpyridin-1-ium-3-carboxamide perchlorate CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxamide perchlorate IUPAC Name: 1-benzylpyridin-1-ium-3-carboxamide perchlorate Traditional Name: 1-benzylpyridin-1-ium-3-carboxamide perchlorate Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O.ClHO4/c14-13(16)12-7-4-8-15(10-12)9-11-5-2-1-3-6-11;2-1(3,4)5/h1-8,10H,9H2,(H-,14,16);(H,2,3,4,5)