N-(2-ethyl-6-methyl-phenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazin-1-ium-1-yl]acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C25H30N4O2S/c1-4-19-8-5-7-18(2)24(19)27-23(30)16-28-11-13-29(14-12-28)25-26-22(17-32-25)20-9-6-10-21(15-20)31-3/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,27,30)/p+1