1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-phenylmethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]-4-methyl-piperazine-1,4-diium Formula: C17H28N6+2 MolecularWeight: 316.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6/c1-17(2,3)23-16(18-19-20-23)15(14-8-6-5-7-9-14)22-12-10-21(4)11-13-22/h5-9,15H,10-13H2,1-4H3/p+2/t15-/m0/s1