[1-[1-[(1R,2R)-1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-1,2,3,4-tetrazol-5-yl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[1-[(1R,2R)-1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-1,2,3,4-tetrazol-5-yl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[1-[(1R)-1-[(R)-(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl]tetrazol-5-yl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[1-[(1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-5-tetrazolyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[1-[(1R,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]tetrazol-5-yl]cyclohexyl]-dimethylazanium Traditional Name: [1-[1-[(1R)-1-[(R)-(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl]tetrazol-5-yl]cyclohexyl]-dimethyl-ammonium Formula: C23H34ClN8O+ MolecularWeight: 474.02206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)N3C(=NN=N3)C4(CCCCC4)[NH+](C)C

Isomeric SMILES

CC(C)(C)[C@H]([C@H](N1C=NC=N1)OC2=CC=C(C=C2)Cl)N3C(=NN=N3)C4(CCCCC4)[NH+](C)C

InChI

InChI=1S/C23H33ClN8O/c1-22(2,3)19(20(31-16-25-15-26-31)33-18-11-9-17(24)10-12-18)32-21(27-28-29-32)23(30(4)5)13-7-6-8-14-23/h9-12,15-16,19-20H,6-8,13-14H2,1-5H3/p+1/t19-,20+/m0/s1