4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C)C(=O)N2C3=CC=CC=C3NC(=O)C2(C)C)C

InChI

InChI=1S/C20H29N3O2/c1-13-10-14(2)12-22(11-13)15(3)18(24)23-17-9-7-6-8-16(17)21-19(25)20(23,4)5/h6-9,13-15H,10-12H2,1-5H3,(H,21,25)/p+1/t13-,14-,15+/m1/s1