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

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-9-7-19(8-10-20)21-17-30-23(24-21)25-22(28)16-27-13-11-26(12-14-27)15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,24,25,28)/p+1