3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinoxalin-2-one Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1H-quinoxalin-2-one CAS Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1H-quinoxalin-2-one IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-1H-quinoxalin-2-one Formula: C23H24N5O2S+ MolecularWeight: 434.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCC4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C23H23N5O2S/c29-22(10-9-19-23(30)26-17-6-2-1-5-16(17)24-19)28-13-11-27(12-14-28)15-21-25-18-7-3-4-8-20(18)31-21/h1-8H,9-15H2,(H,26,30)/p+1