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

Systemtic Name: 1-(3-methoxyphenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]propyl]piperazin-4-ium Openeye Name: 1-(3-methoxyphenyl)-4-[(1R)-1-[1-(2-thienylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium CAS Name: 1-(3-methoxyphenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]propyl]piperazin-4-ium IUPAC Name: 1-(3-methoxyphenyl)-4-[(1R)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium Traditional Name: 1-(3-methoxyphenyl)-4-[(1R)-1-[1-(2-thenyl)tetrazol-5-yl]propyl]piperazin-4-ium Formula: C20H27N6OS+ MolecularWeight: 399.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC[C@H](C1=NN=NN1CC2=CC=CS2)[NH+]3CCN(CC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H26N6OS/c1-3-19(20-21-22-23-26(20)15-18-8-5-13-28-18)25-11-9-24(10-12-25)16-6-4-7-17(14-16)27-2/h4-8,13-14,19H,3,9-12,15H2,1-2H3/p+1/t19-/m1/s1