2-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(3-bromo-4-methoxybenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C17H25BrN3O3+ MolecularWeight: 399.3027

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C17H24BrN3O3/c1-19(2)16(22)12-20-7-4-8-21(10-9-20)17(23)13-5-6-15(24-3)14(18)11-13/h5-6,11H,4,7-10,12H2,1-3H3/p+1