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

Systemtic Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-phenoxy-propan-1-one Openeye Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-phenoxy-propan-1-one CAS Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-phenoxy-1-propanone IUPAC Name: (2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-phenoxypropan-1-one Traditional Name: (2R)-2-phenoxy-1-(4-piperonylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H25N2O4+ MolecularWeight: 369.4342

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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=C4

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O4/c1-16(27-18-5-3-2-4-6-18)21(24)23-11-9-22(10-12-23)14-17-7-8-19-20(13-17)26-15-25-19/h2-8,13,16H,9-12,14-15H2,1H3/p+1/t16-/m1/s1