1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-4-methyl-piperazin-4-ium Formula: C15H25N6S+ MolecularWeight: 321.4642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@@H](C2=CC=CS2)N3CC[NH+](CC3)C

InChI

InChI=1S/C15H24N6S/c1-15(2,3)21-14(16-17-18-21)13(12-6-5-11-22-12)20-9-7-19(4)8-10-20/h5-6,11,13H,7-10H2,1-4H3/p+1/t13-/m1/s1