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

Systemtic Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H24N4O2S/c1-15(23(29)27-14-21(28)24-17-6-2-4-8-19(17)27)26-12-10-16(11-13-26)22-25-18-7-3-5-9-20(18)30-22/h2-9,15-16H,10-14H2,1H3,(H,24,28)/p+1/t15-/m0/s1