2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]phenoxy]-1-pyrrolidino-ethanone Formula: C26H33N2O4+ MolecularWeight: 437.55122

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)OCC(=O)N5CCCC5

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC(=C2)C3=CC4=C(C=C3)OCO4)OCC(=O)N5CCCC5

InChI

InChI=1S/C26H32N2O4/c1-19-5-4-10-27(15-19)16-22-13-20(21-7-9-24-25(14-21)32-18-31-24)6-8-23(22)30-17-26(29)28-11-2-3-12-28/h6-9,13-14,19H,2-5,10-12,15-18H2,1H3/p+1/t19-/m0/s1