(3-chloranyl-4-oxidanyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-4-oxidanyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-chloro-4-hydroxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-chloro-4-hydroxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-chloro-4-hydroxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-chloro-4-hydroxy-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)O)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)O)Cl

InChI

InChI=1S/C13H17ClN2O2/c1-15-5-2-6-16(8-7-15)13(18)10-3-4-12(17)11(14)9-10/h3-4,9,17H,2,5-8H2,1H3/p+1