[1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-yl]methanol Formula: C22H27ClNO4+ MolecularWeight: 404.90708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C22H26ClNO4/c23-19-13-21-20(27-16-28-21)12-17(19)14-24-9-6-22(15-25,7-10-24)8-11-26-18-4-2-1-3-5-18/h1-5,12-13,25H,6-11,14-16H2/p+1