1-[6-[2-(4-ethylphenyl)ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium

Systemtic Name: 1-[6-[2-(4-ethylphenyl)ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium Openeye Name: 1-[6-[2-(4-ethylphenyl)ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium CAS Name: 1-[6-[2-(4-ethylphenyl)ethyl]-2-methoxy-3,3-dimethylcyclohexyl]-1-methyl-1,2,4-triazol-1-ium IUPAC Name: 1-[6-[2-(4-ethylphenyl)ethyl]-2-methoxy-3,3-dimethylcyclohexyl]-1-methyl-1,2,4-triazol-1-ium Traditional Name: 1-[6-[2-(4-ethylphenyl)ethyl]-2-methoxy-3,3-dimethyl-cyclohexyl]-1-methyl-1,2,4-triazol-1-ium Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC2CCC(C(C2[N+]3(C=NC=N3)C)OC)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CCC2CCC(C(C2[N+]3(C=NC=N3)C)OC)(C)C

InChI

InChI=1S/C22H34N3O/c1-6-17-7-9-18(10-8-17)11-12-19-13-14-22(2,3)21(26-5)20(19)25(4)16-23-15-24-25/h7-10,15-16,19-21H,6,11-14H2,1-5H3/q+1