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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-3-14(2)21-19(23)13-22-8-6-15(7-9-22)20(24)16-4-5-17-18(12-16)26-11-10-25-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1