4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[(2S)-2-(4-piperonylpiperazin-1-ium-1-yl)propanoyl]-1H-quinoxalin-2-one Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N4O4/c1-17(23(30)29-20-7-5-4-6-19(20)26-24(31)25(29,2)3)28-12-10-27(11-13-28)15-18-8-9-21-22(14-18)33-16-32-21/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,26,31)/p+1/t17-/m0/s1