[2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(2,5-dimethyl-1-pyrrolyl)-1,3-benzothiazol-6-yl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(2,5-dimethylpyrrol-1-yl)-1,3-benzothiazol-6-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=CC=C(N1C2=NC3=C(S2)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C23H23N5OS/c1-16-6-7-17(2)28(16)23-25-19-9-8-18(15-20(19)30-23)22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,15H,11-14H2,1-2H3/p+1