trimethyl-[[4-(2-oxidanylideneazepan-1-yl)carbonylphenyl]methyl]azanium

Systemtic Name: trimethyl-[[4-(2-oxidanylideneazepan-1-yl)carbonylphenyl]methyl]azanium Openeye Name: trimethyl-[[4-(2-oxoazepane-1-carbonyl)phenyl]methyl]ammonium CAS Name: trimethyl-[[4-[oxo-(2-oxo-1-azepanyl)methyl]phenyl]methyl]ammonium IUPAC Name: trimethyl-[[4-(2-oxoazepane-1-carbonyl)phenyl]methyl]azanium Traditional Name: [4-(2-ketoazepane-1-carbonyl)benzyl]-trimethyl-ammonium Formula: C17H25N2O2+ MolecularWeight: 289.3926

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=C(C=C1)C(=O)N2CCCCCC2=O

Isomeric SMILES

C[N+](C)(C)CC1=CC=C(C=C1)C(=O)N2CCCCCC2=O

InChI

InChI=1S/C17H25N2O2/c1-19(2,3)13-14-8-10-15(11-9-14)17(21)18-12-6-4-5-7-16(18)20/h8-11H,4-7,12-13H2,1-3H3/q+1