2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H30N2O4/c1-15-4-2-3-5-17(15)22-20(24)13-23-10-8-21(25,9-11-23)16-6-7-18-19(12-16)27-14-26-18/h6-7,12,15,17,25H,2-5,8-11,13-14H2,1H3,(H,22,24)/p+1/t15-,17-/m0/s1