2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(5-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone Traditional Name: 1-(5-methyl-1H-indol-3-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C23H27N3O3+2 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

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