N-(4-butylphenyl)-6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-butylphenyl)-6-chloro-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(4-butylphenyl)-6-chloro-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-6-chloro-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(4-butylphenyl)-6-chloro-1-oxido-pyridin-1-ium-3-carboxamide Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C[N+](=C(C=C2)Cl)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C[N+](=C(C=C2)Cl)[O-]

InChI

InChI=1S/C16H17ClN2O2/c1-2-3-4-12-5-8-14(9-6-12)18-16(20)13-7-10-15(17)19(21)11-13/h5-11H,2-4H2,1H3,(H,18,20)