2-[4-[2-(2,4,6-trimethylphenoxy)ethylazaniumyl]cyclohexyl]ethanoate

Systemtic Name: 2-[4-[2-(2,4,6-trimethylphenoxy)ethylazaniumyl]cyclohexyl]ethanoate Openeye Name: 2-[4-[2-(2,4,6-trimethylphenoxy)ethylammonio]cyclohexyl]acetate CAS Name: 2-[4-[2-(2,4,6-trimethylphenoxy)ethylammonio]cyclohexyl]acetate IUPAC Name: 2-[4-[2-(2,4,6-trimethylphenoxy)ethylazaniumyl]cyclohexyl]acetate Traditional Name: 2-[4-[2-(2,4,6-trimethylphenoxy)ethylammonio]cyclohexyl]acetate Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC[NH2+]C2CCC(CC2)CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC[NH2+]C2CCC(CC2)CC(=O)[O-])C

InChI

InChI=1S/C19H29NO3/c1-13-10-14(2)19(15(3)11-13)23-9-8-20-17-6-4-16(5-7-17)12-18(21)22/h10-11,16-17,20H,4-9,12H2,1-3H3,(H,21,22)