[1-[1-[(3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-yl]-1,2,3,4-tetrazol-5-yl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[1-[(3S)-1-(2,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-yl]-1,2,3,4-tetrazol-5-yl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[1-[(1S)-1-tert-butyl-3-(2,4-dichlorophenyl)allyl]tetrazol-5-yl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[1-[(3S)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]-5-tetrazolyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[1-[(3S)-1-(2,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-yl]tetrazol-5-yl]cyclohexyl]-dimethylazanium Traditional Name: [1-[1-[(1S)-1-tert-butyl-3-(2,4-dichlorophenyl)allyl]tetrazol-5-yl]cyclohexyl]-dimethyl-ammonium Formula: C22H32Cl2N5+ MolecularWeight: 437.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C=CC1=C(C=C(C=C1)Cl)Cl)N2C(=NN=N2)C3(CCCCC3)[NH+](C)C

Isomeric SMILES

CC(C)(C)[C@H](C=CC1=C(C=C(C=C1)Cl)Cl)N2C(=NN=N2)C3(CCCCC3)[NH+](C)C

InChI

InChI=1S/C22H31Cl2N5/c1-21(2,3)19(12-10-16-9-11-17(23)15-18(16)24)29-20(25-26-27-29)22(28(4)5)13-7-6-8-14-22/h9-12,15,19H,6-8,13-14H2,1-5H3/p+1/t19-/m0/s1