(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)methanone Formula: C21H20N5OS+ MolecularWeight: 390.4814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)N5C=CC=C5

InChI

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