[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]cyclopentyl]-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]cyclopentyl]-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]cyclopentyl]-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]cyclopentyl]-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]cyclopentyl]-dimethylazanium Traditional Name: [1-[1-[(1R)-1-[(R)-(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl]tetrazol-5-yl]cyclopentyl]-dimethyl-ammonium Formula: C22H32ClN8O+ MolecularWeight: 459.99548

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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(CCCC4)[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(CCCC4)[NH+](C)C

InChI

InChI=1S/C22H31ClN8O/c1-21(2,3)18(31-20(26-27-28-31)22(29(4)5)12-6-7-13-22)19(30-15-24-14-25-30)32-17-10-8-16(23)9-11-17/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3/p+1/t18-,19+/m0/s1