2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1,2-dimethylindol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1,2-dimethylindol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1,2-dimethylindol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(1,2-dimethyl-3-indolyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1,2-dimethylindol-3-yl)ethanone Traditional Name: 1-(1,2-dimethylindol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N3O3/c1-17-24(19-5-3-4-6-20(19)25(17)2)21(28)15-27-11-9-26(10-12-27)14-18-7-8-22-23(13-18)30-16-29-22/h3-8,13H,9-12,14-16H2,1-2H3/p+1