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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methylphenyl)-1,3-thiazole Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(p-tolyl)thiazole CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-(4-methylphenyl)thiazole IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-methylphenyl)-1,3-thiazole Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)-4-(p-tolyl)thiazole Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O2S/c1-16-2-5-18(6-3-16)19-14-28-22(23-19)25-10-8-24(9-11-25)13-17-4-7-20-21(12-17)27-15-26-20/h2-7,12,14H,8-11,13,15H2,1H3/p+1