N-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine

Systemtic Name: N-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-N-(p-tolyl)thiazol-2-amine CAS Name: N-(4-methylphenyl)-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-thiazolamine IUPAC Name: N-(4-methylphenyl)-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine Traditional Name: [4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]thiazol-2-yl]-(p-tolyl)amine Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O2S/c1-16-2-4-17(5-3-16)22-21-23-18(15-29-21)14-24-10-12-25(13-11-24)19-6-8-20(9-7-19)26(27)28/h2-9,15H,10-14H2,1H3,(H,22,23)/p+1