(2R,3R)-2-(1,3-benzodioxol-5-yl)-4-methyl-3-morpholin-4-ium-4-yl-pentanenitrile

Systemtic Name: (2R,3R)-2-(1,3-benzodioxol-5-yl)-4-methyl-3-morpholin-4-ium-4-yl-pentanenitrile Openeye Name: (2R,3R)-2-(1,3-benzodioxol-5-yl)-4-methyl-3-morpholin-4-ium-4-yl-pentanenitrile CAS Name: (2R,3R)-2-(1,3-benzodioxol-5-yl)-4-methyl-3-(4-morpholin-4-iumyl)pentanenitrile IUPAC Name: (2R,3R)-2-(1,3-benzodioxol-5-yl)-4-methyl-3-morpholin-4-ium-4-ylpentanenitrile Traditional Name: (2R,3R)-2-(1,3-benzodioxol-5-yl)-4-methyl-3-morpholin-4-ium-4-yl-valeronitrile Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C#N)C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)[C@H]([C@H](C#N)C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

InChI

InChI=1S/C17H22N2O3/c1-12(2)17(19-5-7-20-8-6-19)14(10-18)13-3-4-15-16(9-13)22-11-21-15/h3-4,9,12,14,17H,5-8,11H2,1-2H3/p+1/t14-,17-/m1/s1