N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-thiazole-5-carboxamide CAS Name: N-(4-chlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-phenyl-5-thiazolecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-thiazole-5-carboxamide Formula: C21H22ClN4OS+ MolecularWeight: 413.94358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4OS/c1-25-11-13-26(14-12-25)21-24-18(15-5-3-2-4-6-15)19(28-21)20(27)23-17-9-7-16(22)8-10-17/h2-10H,11-14H2,1H3,(H,23,27)/p+1