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

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-N-thiophen-2-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1-phenyltetrazol-5-yl)methyl]-N-(2-thienyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(1-phenyl-5-tetrazolyl)methyl]-N-thiophen-2-yl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1-phenyltetrazol-5-yl)methyl]-N-thiophen-2-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[(1-phenyltetrazol-5-yl)methyl]-N-(2-thienyl)piperazin-4-ium-1-carboxamide Formula: C17H20N7OS+ MolecularWeight: 370.452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)NC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)NC4=CC=CS4

InChI

InChI=1S/C17H19N7OS/c25-17(18-16-7-4-12-26-16)23-10-8-22(9-11-23)13-15-19-20-21-24(15)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,18,25)/p+1