1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-pyrrol-1-ylthiazol-5-yl)ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-[2-(1-pyrrolyl)-5-thiazolyl]ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(2-pyrrol-1-ylthiazol-5-yl)ethanone Formula: C18H20N5OS+ MolecularWeight: 354.4493

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CN=C(S3)N4C=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CN=C(S3)N4C=CC=C4

InChI

InChI=1S/C18H19N5OS/c24-17(13-15-14-20-18(25-15)23-7-3-4-8-23)22-11-9-21(10-12-22)16-5-1-2-6-19-16/h1-8,14H,9-13H2/p+1