(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-cyclopropyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-cyclopropylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-cyclopropylpyrrolidine-2,5-dione Traditional Name: (3S)-1-cyclopropyl-3-(4-piperonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H23N3O4/c23-18-10-15(19(24)22(18)14-2-3-14)21-7-5-20(6-8-21)11-13-1-4-16-17(9-13)26-12-25-16/h1,4,9,14-15H,2-3,5-8,10-12H2/p+1/t15-/m0/s1