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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-28-19-9-7-18(8-10-19)23-21(27)15-25-11-13-26(14-12-25)22-24-20(16-29-22)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,23,27)/p+1