cyclohexyl-[(2S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COCC1COC2=CC=CC=C2O1)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC[C@@H]1COC2=CC=CC=C2O1)O)C3CCCCC3

InChI

InChI=1S/C19H29NO4/c1-20(15-7-3-2-4-8-15)11-16(21)12-22-13-17-14-23-18-9-5-6-10-19(18)24-17/h5-6,9-10,15-17,21H,2-4,7-8,11-14H2,1H3/p+1/t16-,17+/m0/s1