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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O2S/c1-2-4-18(5-3-1)22-23-19(15-28-22)14-25-10-8-24(9-11-25)13-17-6-7-20-21(12-17)27-16-26-20/h1-7,12,15H,8-11,13-14,16H2/p+1