4-(4-methyl-3-nitro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole

Systemtic Name: 4-(4-methyl-3-nitro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-(4-methyl-3-nitro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-(4-methyl-3-nitrophenyl)-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-(4-methyl-3-nitrophenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-(4-methyl-3-nitro-phenyl)-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C15H19N4O2S+ MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-11-3-4-12(9-14(11)19(20)21)13-10-22-15(16-13)18-7-5-17(2)6-8-18/h3-4,9-10H,5-8H2,1-2H3/p+1