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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-1,3-thiazol-2-amine Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-thiazol-2-amine CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-N-phenyl-2-thiazolamine IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-N-phenyl-1,3-thiazol-2-amine Traditional Name: phenyl-[4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]amine Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)NC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O2S/c1-2-4-18(5-3-1)23-22-24-19(15-29-22)14-26-10-8-25(9-11-26)13-17-6-7-20-21(12-17)28-16-27-20/h1-7,12,15H,8-11,13-14,16H2,(H,23,24)/p+1