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

Systemtic Name: 1-(4-methoxyphenyl)-4-[[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[[1-(2-thienylmethyl)tetrazol-5-yl]methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[[1-(2-thenyl)tetrazol-5-yl]methyl]piperazin-4-ium Formula: C18H23N6OS+ MolecularWeight: 371.47982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NN=NN3CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NN=NN3CC4=CC=CS4

InChI

InChI=1S/C18H22N6OS/c1-25-16-6-4-15(5-7-16)23-10-8-22(9-11-23)14-18-19-20-21-24(18)13-17-3-2-12-26-17/h2-7,12H,8-11,13-14H2,1H3/p+1