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

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)propan-1-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3/c1-16(23(27)19-13-24-20-5-3-2-4-18(19)20)26-10-8-25(9-11-26)14-17-6-7-21-22(12-17)29-15-28-21/h2-7,12-13,16,24H,8-11,14-15H2,1H3/p+1/t16-/m1/s1