cyclohexyl-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]azanium

Systemtic Name: cyclohexyl-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]azanium Openeye Name: cyclohexyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]ammonium CAS Name: cyclohexyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]ammonium IUPAC Name: cyclohexyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]azanium Traditional Name: cyclohexyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(C[NH2+]C2CCCCC2)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@@H](C[NH2+]C2CCCCC2)O)C

InChI

InChI=1S/C18H29NO2/c1-14-8-9-18(12-15(14)2)21-11-10-17(20)13-19-16-6-4-3-5-7-16/h8-9,12,16-17,19-20H,3-7,10-11,13H2,1-2H3/p+1/t17-/m0/s1