[4-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[2-(4-methylanilino)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[2-(4-methylanilino)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[2-(p-toluidino)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-15-4-6-16(7-5-15)21-20-22-17(14-27-20)13-23-8-10-24(11-9-23)19(25)18-3-2-12-26-18/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)/p+1