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

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]-4-cyclopentyl-piperazine-1,4-diium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]-4-cyclopentyl-piperazine-1,4-diium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-phenylmethyl]-4-cyclopentylpiperazine-1,4-diium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-cyclopentylpiperazine-1,4-diium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]-4-cyclopentyl-piperazine-1,4-diium Formula: C21H34N6+2 MolecularWeight: 370.53486

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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)C4CCCC4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C21H32N6/c1-21(2,3)27-20(22-23-24-27)19(17-9-5-4-6-10-17)26-15-13-25(14-16-26)18-11-7-8-12-18/h4-6,9-10,18-19H,7-8,11-16H2,1-3H3/p+2/t19-/m0/s1