1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone Formula: C18H21N6OS+ MolecularWeight: 369.46394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C18H20N6OS/c25-18(13-16-7-4-12-26-16)23-10-8-22(9-11-23)14-17-19-20-21-24(17)15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2/p+1