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

Systemtic Name: 3,3-dimethyl-4-[(2S)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[(2S)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[(2S)-1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]propyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[(2S)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[(2S)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]propanoyl]-1H-quinoxalin-2-one Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-16(25-11-9-24(10-12-25)14-17-8-13-29-15-17)20(27)26-19-7-5-4-6-18(19)23-21(28)22(26,2)3/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,23,28)/p+1/t16-/m0/s1