2-[cyclohexyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[cyclohexyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[cyclohexyl-[(4-isopropylphenyl)methyl]ammonio]acetate CAS Name: 2-[cyclohexyl-[(4-propan-2-ylphenyl)methyl]ammonio]acetate IUPAC Name: 2-[cyclohexyl-[(4-propan-2-ylphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[cyclohexyl-(4-isopropylbenzyl)ammonio]acetate Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)[O-])C2CCCCC2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)[O-])C2CCCCC2

InChI

InChI=1S/C18H27NO2/c1-14(2)16-10-8-15(9-11-16)12-19(13-18(20)21)17-6-4-3-5-7-17/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,20,21)