2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(7-ethyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone Traditional Name: 1-(7-ethyl-1H-indol-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:

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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