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

Systemtic Name: 1-[(R)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(R)-(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(R)-(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-4-phenyl-piperazin-1-ium Formula: C20H27N6S+ MolecularWeight: 383.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H26N6S/c1-20(2,3)26-19(21-22-23-26)18(17-10-7-15-27-17)25-13-11-24(12-14-25)16-8-5-4-6-9-16/h4-10,15,18H,11-14H2,1-3H3/p+1/t18-/m0/s1