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(2S)-2-(2,4-dichlorophenyl)azepan-1-ium

(2S)-2-(2,4-dichlorophenyl)azepan-1-ium

Systemtic Name:(2S)-2-(2,4-dichlorophenyl)azepan-1-ium
Openeye Name:(2S)-2-(2,4-dichlorophenyl)azepan-1-ium
CAS Name:(2S)-2-(2,4-dichlorophenyl)azepan-1-ium
IUPAC Name:(2S)-2-(2,4-dichlorophenyl)azepan-1-ium
Traditional Name:(2S)-2-(2,4-dichlorophenyl)azepan-1-ium
Formula: C12H16Cl2N+
MolecularWeight: 245.16814
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)C2=C(C=C(C=C2)Cl)Cl


Isomeric SMILES

C1CC[C@H]([NH2+]CC1)C2=C(C=C(C=C2)Cl)Cl


InChI

InChI=1S/C12H15Cl2N/c13-9-5-6-10(11(14)8-9)12-4-2-1-3-7-15-12/h5-6,8,12,15H,1-4,7H2/p+1/t12-/m0/s1


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