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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-methyl-3-oxidanyl-phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxy-4-methyl-phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxy-4-methylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxy-4-methylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-hydroxy-4-methyl-phenyl)methanone Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)O

InChI

InChI=1S/C13H18N2O2/c1-10-3-4-11(9-12(10)16)13(17)15-7-2-5-14-6-8-15/h3-4,9,14,16H,2,5-8H2,1H3/p+1