[(2S)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-2-oxidanyl-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-2-oxidanyl-phenyl)ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-hydroxy-phenyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepan-1-iumyl)-2-(5-chloro-2-hydroxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-hydroxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-(azepan-1-ium-1-yl)-2-(5-chloro-2-hydroxy-phenyl)ethyl]ammonium Formula: C14H23ClN2O+2 MolecularWeight: 270.79822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C[NH3+])C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C14H21ClN2O/c15-11-5-6-14(18)12(9-11)13(10-16)17-7-3-1-2-4-8-17/h5-6,9,13,18H,1-4,7-8,10,16H2/p+2/t13-/m1/s1