(5S)-5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-morpholin-4-ium

Systemtic Name: (5S)-5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-morpholin-4-ium Openeye Name: (5S)-5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-morpholin-4-ium CAS Name: (5S)-5-(1,3-benzodioxol-5-yl)-3,3-dimethylmorpholin-4-ium IUPAC Name: (5S)-5-(1,3-benzodioxol-5-yl)-3,3-dimethylmorpholin-4-ium Traditional Name: (5S)-5-(1,3-benzodioxol-5-yl)-3,3-dimethyl-morpholin-4-ium Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCC([NH2+]1)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1(COC[C@@H]([NH2+]1)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C13H17NO3/c1-13(2)7-15-6-10(14-13)9-3-4-11-12(5-9)17-8-16-11/h3-5,10,14H,6-8H2,1-2H3/p+1/t10-/m1/s1