[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-yl-methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-yl-methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-yl-methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(6-quinoxalinyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-ylmethanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-yl-methanone Formula: C21H20N5OS+ MolecularWeight: 390.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C21H19N5OS/c27-21(15-5-6-16-18(13-15)23-8-7-22-16)26-11-9-25(10-12-26)14-20-24-17-3-1-2-4-19(17)28-20/h1-8,13H,9-12,14H2/p+1