(2S)-2-(5-chloranyl-2-methoxy-phenyl)azepan-1-ium

Systemtic Name: (2S)-2-(5-chloranyl-2-methoxy-phenyl)azepan-1-ium Openeye Name: (2S)-2-(5-chloro-2-methoxy-phenyl)azepan-1-ium CAS Name: (2S)-2-(5-chloro-2-methoxyphenyl)azepan-1-ium IUPAC Name: (2S)-2-(5-chloro-2-methoxyphenyl)azepan-1-ium Traditional Name: (2S)-2-(5-chloro-2-methoxy-phenyl)azepan-1-ium Formula: C13H19ClNO+ MolecularWeight: 240.74906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2CCCCC[NH2+]2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)[C@@H]2CCCCC[NH2+]2

InChI

InChI=1S/C13H18ClNO/c1-16-13-7-6-10(14)9-11(13)12-5-3-2-4-8-15-12/h6-7,9,12,15H,2-5,8H2,1H3/p+1/t12-/m0/s1