N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H29N3O4/c1-15(2)22(3,14-23)24-20(26)13-25-8-6-16(7-9-25)21(27)17-4-5-18-19(12-17)29-11-10-28-18/h4-5,12,15-16H,6-11,13H2,1-3H3,(H,24,26)/p+1/t22-/m1/s1