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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(2,3-dimethylindol-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(2,3-dimethylindol-1-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(2,3-dimethyl-1-indolyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(2,3-dimethylindol-1-yl)ethanone Traditional Name: 1-(2,3-dimethylindol-1-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(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

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