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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C5=CC=CC=C5C(=O)C=N4

InChI

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