1-cyclohexyl-4-[(R)-(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-ium

Systemtic Name: 1-cyclohexyl-4-[(R)-(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-ium Openeye Name: 1-cyclohexyl-4-[(R)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-cyclohexyl-4-[(R)-(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]piperazin-1-ium IUPAC Name: 1-cyclohexyl-4-[(R)-(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazin-1-ium Traditional Name: 1-[(R)-(1-tert-amyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-cyclohexyl-piperazin-4-ium Formula: C24H39N6O+ MolecularWeight: 427.60606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2OC)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@@H](C2=CC=CC=C2OC)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C24H38N6O/c1-5-24(2,3)30-23(25-26-27-30)22(20-13-9-10-14-21(20)31-4)29-17-15-28(16-18-29)19-11-7-6-8-12-19/h9-10,13-14,19,22H,5-8,11-12,15-18H2,1-4H3/p+1/t22-/m1/s1