cyclohexyl 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: cyclohexyl 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: cyclohexyl 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]acetic acid cyclohexyl ester Formula: C20H28NO5+ MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CCC(CC1)OC(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H27NO5/c22-19(26-16-4-2-1-3-5-16)13-21-10-8-20(23,9-11-21)15-6-7-17-18(12-15)25-14-24-17/h6-7,12,16,23H,1-5,8-11,13-14H2/p+1