(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-isopropylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-(4-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(4-isopropylphenoxy)-3-(4-piperonylpiperazin-4-ium-1-yl)propan-2-ol Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c1-18(2)20-4-6-22(7-5-20)28-16-21(27)15-26-11-9-25(10-12-26)14-19-3-8-23-24(13-19)30-17-29-23/h3-8,13,18,21,27H,9-12,14-17H2,1-2H3/p+1/t21-/m0/s1