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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-thiazole CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-phenylthiazole IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenyl-1,3-thiazole Traditional Name: 4-phenyl-2-(4-piperonylpiperazin-4-ium-1-yl)thiazole Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H21N3O2S/c1-2-4-17(5-3-1)18-14-27-21(22-18)24-10-8-23(9-11-24)13-16-6-7-19-20(12-16)26-15-25-19/h1-7,12,14H,8-11,13,15H2/p+1