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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-piperonylpiperazin-1-ium-1-yl)ethanone Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N3O3/c1-16-11-20(17(2)26(16)19-4-5-19)21(27)14-25-9-7-24(8-10-25)13-18-3-6-22-23(12-18)29-15-28-22/h3,6,11-12,19H,4-5,7-10,13-15H2,1-2H3/p+1