N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C23H23N6O2S+ MolecularWeight: 447.53272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N6O2S/c30-21(28-13-11-27(12-14-28)20-5-1-2-8-24-20)16-25-22(31)17-6-7-18-19(15-17)32-23(26-18)29-9-3-4-10-29/h1-10,15H,11-14,16H2,(H,25,31)/p+1