1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(1-phenyltetrazol-5-yl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(1-phenyl-5-tetrazolyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(1-phenyltetrazol-5-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(1-phenyltetrazol-5-yl)-4-(3-thenyl)piperazin-4-ium Formula: C16H19N6S+ MolecularWeight: 327.42726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C16H18N6S/c1-2-4-15(5-3-1)22-16(17-18-19-22)21-9-7-20(8-10-21)12-14-6-11-23-13-14/h1-6,11,13H,7-10,12H2/p+1