(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methyl-2-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(5-methyl-2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2R)-1-(2-isopropyl-5-methyl-phenoxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@@H](CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C25H34N2O4/c1-18(2)22-6-4-19(3)12-24(22)29-16-21(28)15-27-10-8-26(9-11-27)14-20-5-7-23-25(13-20)31-17-30-23/h4-7,12-13,18,21,28H,8-11,14-17H2,1-3H3/p+1/t21-/m1/s1