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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

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