2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3/c1-4-7-26-17(2)12-20(18(26)3)21(27)15-25-10-8-24(9-11-25)14-19-5-6-22-23(13-19)29-16-28-22/h4-6,12-13H,1,7-11,14-16H2,2-3H3/p+2