2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H22N4O2S/c1-27-18-8-6-16(7-9-18)21-23-17(15-29-21)14-25-10-12-26(13-11-25)22-24-19-4-2-3-5-20(19)28-22/h2-9,15H,10-14H2,1H3/p+1