trimethyl-[[4-(3-oxidanylideneazepan-1-yl)carbonylphenyl]methyl]azanium

Systemtic Name: trimethyl-[[4-(3-oxidanylideneazepan-1-yl)carbonylphenyl]methyl]azanium Openeye Name: trimethyl-[[4-(3-oxoazepane-1-carbonyl)phenyl]methyl]ammonium CAS Name: trimethyl-[[4-[oxo-(3-oxo-1-azepanyl)methyl]phenyl]methyl]ammonium IUPAC Name: trimethyl-[[4-(3-oxoazepane-1-carbonyl)phenyl]methyl]azanium Traditional Name: [4-(3-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)N2CCCCC(=O)C2

Isomeric SMILES

C[N+](C)(C)CC1=CC=C(C=C1)C(=O)N2CCCCC(=O)C2

InChI

InChI=1S/C17H25N2O2/c1-19(2,3)13-14-7-9-15(10-8-14)17(21)18-11-5-4-6-16(20)12-18/h7-10H,4-6,11-13H2,1-3H3/q+1