(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetate Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H27N3O4/c32-28(33)27(25-21-8-4-5-9-22(21)29-26(25)20-6-2-1-3-7-20)31-14-12-30(13-15-31)17-19-10-11-23-24(16-19)35-18-34-23/h1-11,16,27,29H,12-15,17-18H2,(H,32,33)/t27-/m1/s1