1,3-benzodioxol-5-yl-[(3S)-1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(2-hydroxyethyloxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[4-(2-hydroxyethoxy)benzyl]piperidin-1-ium-3-yl]methanone Formula: C22H26NO5+ MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OCCO)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OCCO)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25NO5/c24-10-11-26-19-6-3-16(4-7-19)13-23-9-1-2-18(14-23)22(25)17-5-8-20-21(12-17)28-15-27-20/h3-8,12,18,24H,1-2,9-11,13-15H2/p+1/t18-/m0/s1