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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-methyl-4-propan-2-yl-phenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-isopropyl-3-methyl-phenoxy)propan-2-ol CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(3-methyl-4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-isopropyl-3-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=C(C=CC(=C1)OCC(CN2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)O)C(C)C

Isomeric SMILES

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

InChI

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