N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C17H22N2O4/c1-11-4-3-5-19(8-11)9-17(21)18-14-7-16-15(22-10-23-16)6-13(14)12(2)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,21)/p+1/t11-/m0/s1