4-[(R)-(4-cyclohexylpiperazin-4-ium-1-yl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(R)-(4-cyclohexylpiperazin-4-ium-1-yl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(R)-(4-cyclohexylpiperazin-4-ium-1-yl)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]methyl]-N,N-dimethyl-aniline CAS Name: 4-[(R)-(4-cyclohexyl-1-piperazin-4-iumyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[(R)-(4-cyclohexylpiperazin-4-ium-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-N,N-dimethylaniline Traditional Name: [4-[(R)-(1-tert-amyltetrazol-5-yl)-(4-cyclohexylpiperazin-4-ium-1-yl)methyl]phenyl]-dimethyl-amine Formula: C25H42N7+ MolecularWeight: 440.64788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@@H](C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C25H41N7/c1-6-25(2,3)32-24(26-27-28-32)23(20-12-14-21(15-13-20)29(4)5)31-18-16-30(17-19-31)22-10-8-7-9-11-22/h12-15,22-23H,6-11,16-19H2,1-5H3/p+1/t23-/m1/s1