2-(4-ethylphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(4-ethylphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(4-ethylphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(4-ethylphenyl)-4-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(4-ethylphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(4-ethylphenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H27N3OS/c1-3-18-7-9-19(10-8-18)23-24-20(17-28-23)16-25-11-13-26(14-12-25)21-5-4-6-22(15-21)27-2/h4-10,15,17H,3,11-14,16H2,1-2H3/p+1