pyridin-1-ium-3-ylmethyl N-[(4-carbonochloridoylphenyl)methyl]carbamate chloride

Systemtic Name: pyridin-1-ium-3-ylmethyl N-[(4-carbonochloridoylphenyl)methyl]carbamate chloride Openeye Name: pyridin-1-ium-3-ylmethyl N-[(4-chlorocarbonylphenyl)methyl]carbamate chloride CAS Name: N-[(4-carbonochloridoylphenyl)methyl]carbamic acid 3-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-3-ylmethyl N-[(4-carbonochloridoylphenyl)methyl]carbamate chloride Traditional Name: N-(4-chlorocarbonylbenzyl)carbamic acid pyridin-1-ium-3-ylmethyl ester chloride Formula: C15H14Cl2N2O3 MolecularWeight: 341.18926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)Cl.[Cl-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)COC(=O)NCC2=CC=C(C=C2)C(=O)Cl.[Cl-]

InChI

InChI=1S/C15H13ClN2O3.ClH/c16-14(19)13-5-3-11(4-6-13)9-18-15(20)21-10-12-2-1-7-17-8-12;/h1-8H,9-10H2,(H,18,20);1H