2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(6-methoxy-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanone Traditional Name: 1-(6-methoxy-1H-indol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O4/c1-28-17-3-4-18-19(12-24-20(18)11-17)21(27)14-26-8-6-25(7-9-26)13-16-2-5-22-23(10-16)30-15-29-22/h2-5,10-12,24H,6-9,13-15H2,1H3/p+1