(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)propan-1-one

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(2-methoxyphenoxy)-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-methoxyphenoxy)propan-1-one Traditional Name: (2R)-2-(2-methoxyphenoxy)-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC=C4OC

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC=C4OC

InChI

InChI=1S/C22H26N2O5/c1-16(29-20-6-4-3-5-18(20)26-2)22(25)24-11-9-23(10-12-24)14-17-7-8-19-21(13-17)28-15-27-19/h3-8,13,16H,9-12,14-15H2,1-2H3/p+1/t16-/m1/s1