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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

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