1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)C4=NC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)C4=NC=CS4

InChI

InChI=1S/C18H24N4OS/c1-13-11-16(14(2)22(13)15-3-4-15)17(23)12-20-6-8-21(9-7-20)18-19-5-10-24-18/h5,10-11,15H,3-4,6-9,12H2,1-2H3/p+1