4-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)N3C4=CC=CC=C4NC(=O)C3(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)N3C4=CC=CC=C4NC(=O)C3(C)C)C

InChI

InChI=1S/C25H32N4O2/c1-17-9-8-12-21(18(17)2)28-15-13-27(14-16-28)19(3)23(30)29-22-11-7-6-10-20(22)26-24(31)25(29,4)5/h6-12,19H,13-16H2,1-5H3,(H,26,31)/p+1/t19-/m1/s1