[2-chloranyl-6-[(2S)-octan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [2-chloranyl-6-[(2S)-octan-2-yl]oxy-phenyl]methylazanium Openeye Name: [2-chloro-6-[(1S)-1-methylheptoxy]phenyl]methylammonium CAS Name: [2-chloro-6-[(2S)-octan-2-yl]oxyphenyl]methylammonium IUPAC Name: [2-chloro-6-[(2S)-octan-2-yl]oxyphenyl]methylazanium Traditional Name: [2-chloro-6-[(1S)-1-methylheptoxy]benzyl]ammonium Formula: C15H25ClNO+ MolecularWeight: 270.8181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C(=CC=C1)Cl)C[NH3+]

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C(=CC=C1)Cl)C[NH3+]

InChI

InChI=1S/C15H24ClNO/c1-3-4-5-6-8-12(2)18-15-10-7-9-14(16)13(15)11-17/h7,9-10,12H,3-6,8,11,17H2,1-2H3/p+1/t12-/m0/s1