2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiazole Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3S/c1-26-19-5-3-18(4-6-19)25-10-8-24(9-11-25)13-17-14-29-22(23-17)16-2-7-20-21(12-16)28-15-27-20/h2-7,12,14H,8-11,13,15H2,1H3/p+1