4-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C17H23N3O2/c1-12-6-5-9-19(10-12)13(2)17(22)20-11-16(21)18-14-7-3-4-8-15(14)20/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H,18,21)/p+1/t12-,13-/m0/s1