N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H23N3O4/c1-12-4-2-3-7-20(12)11-16(21)19-17(22)18-13-5-6-14-15(10-13)24-9-8-23-14/h5-6,10,12H,2-4,7-9,11H2,1H3,(H2,18,19,21,22)/p+1/t12-/m0/s1