(5-chloranyl-2-oxidanyl-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-hydroxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (5-chloro-2-hydroxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (5-chloro-2-hydroxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (5-chloro-2-hydroxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C12H16ClN2O2+ MolecularWeight: 255.72064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C12H15ClN2O2/c13-9-2-3-11(16)10(8-9)12(17)15-6-1-4-14-5-7-15/h2-3,8,14,16H,1,4-7H2/p+1