[5-bromanyl-2-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(3S)-2-oxidanylideneazepan-3-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(3S)-2-oxoazepan-3-yl]oxy-phenyl]methylammonium CAS Name: [5-bromo-2-[[(3S)-2-oxo-3-azepanyl]oxy]phenyl]methylammonium IUPAC Name: [5-bromo-2-[(3S)-2-oxoazepan-3-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(3S)-2-ketoazepan-3-yl]oxy-benzyl]ammonium Formula: C13H18BrN2O2+ MolecularWeight: 314.19822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Br)C[NH3+]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=C(C=C(C=C2)Br)C[NH3+]

InChI

InChI=1S/C13H17BrN2O2/c14-10-4-5-11(9(7-10)8-15)18-12-3-1-2-6-16-13(12)17/h4-5,7,12H,1-3,6,8,15H2,(H,16,17)/p+1/t12-/m0/s1