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

Systemtic Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c1-16-14-19(17(2)25(16)21-22-8-13-27-21)20(26)15-23-9-11-24(12-10-23)18-6-4-3-5-7-18/h3-8,13-14H,9-12,15H2,1-2H3/p+1