N-cyclopropyl-2-[4-[[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[[2-(4-methoxyanilino)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[2-(4-methoxyanilino)-4-thiazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[[2-(p-anisidino)thiazol-4-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)CN3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)CN3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C20H27N5O2S/c1-27-18-6-4-16(5-7-18)22-20-23-17(14-28-20)12-24-8-10-25(11-9-24)13-19(26)21-15-2-3-15/h4-7,14-15H,2-3,8-13H2,1H3,(H,21,26)(H,22,23)/p+1