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

Systemtic Name: (3-bromophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-bromophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-bromophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-bromophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-bromophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O/c1-15-6-3-7-16(9-8-15)13(17)11-4-2-5-12(14)10-11/h2,4-5,10H,3,6-9H2,1H3/p+1