(2-bromanyl-5-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-bromo-5-methoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C13H17BrN2O2/c1-18-10-3-4-12(14)11(9-10)13(17)16-7-2-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3/p+1