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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-(2-methoxyphenyl)thiazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-(2-methoxyphenyl)thiazole IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole Traditional Name: 2-(2-methoxyphenyl)-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3S/c1-27-20-5-3-2-4-19(20)23-24-18(15-30-23)14-26-10-8-25(9-11-26)13-17-6-7-21-22(12-17)29-16-28-21/h2-7,12,15H,8-11,13-14,16H2,1H3/p+1