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

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(5-methyl-2-oxidanyl-phenyl)methanone Openeye Name: (2-hydroxy-5-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-hydroxy-5-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-hydroxy-5-methylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-hydroxy-5-methyl-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C14H20N2O2/c1-11-4-5-13(17)12(10-11)14(18)16-7-3-6-15(2)8-9-16/h4-5,10,17H,3,6-9H2,1-2H3/p+1