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

Systemtic Name: [4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H19N6OS+ MolecularWeight: 355.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H18N6OS/c24-17(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-18-19-20-23(16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2/p+1