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

Systemtic Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N2CC(=O)NC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4O2S/c27-20-13-26(18-9-3-1-7-16(18)23-20)21(28)14-25-11-5-6-15(12-25)22-24-17-8-2-4-10-19(17)29-22/h1-4,7-10,15H,5-6,11-14H2,(H,23,27)/p+1/t15-/m0/s1