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

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

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N4CC(=O)NC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)N4CC(=O)NC5=CC=CC=C54

InChI

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