2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-1-[(3S)-3-methylpiperidino]ethanone Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H28N2O4/c1-15-3-2-8-22(12-15)19(23)13-21-9-6-20(24,7-10-21)16-4-5-17-18(11-16)26-14-25-17/h4-5,11,15,24H,2-3,6-10,12-14H2,1H3/p+1/t15-/m0/s1