1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(diphenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(diphenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzhydryl-4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(1-cyclohexyl-5-tetrazolyl)methyl]-4-(diphenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzhydryl-4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzhydryl-4-[(1-cyclohexyltetrazol-5-yl)methyl]piperazine-1,4-diium Formula: C25H34N6+2 MolecularWeight: 418.57766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H32N6/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)30-18-16-29(17-19-30)20-24-26-27-28-31(24)23-14-8-3-9-15-23/h1-2,4-7,10-13,23,25H,3,8-9,14-20H2/p+2