4-methyl-2-[(1R)-3-[methyl-di(propan-2-yl)azaniumyl]-1-phenyl-propyl]phenolate

Systemtic Name: 4-methyl-2-[(1R)-3-[methyl-di(propan-2-yl)azaniumyl]-1-phenyl-propyl]phenolate Openeye Name: 2-[(1R)-3-[diisopropyl(methyl)ammonio]-1-phenyl-propyl]-4-methyl-phenolate CAS Name: 4-methyl-2-[(1R)-3-[methyl-di(propan-2-yl)ammonio]-1-phenylpropyl]phenolate IUPAC Name: 4-methyl-2-[(1R)-3-[methyl-di(propan-2-yl)azaniumyl]-1-phenylpropyl]phenolate Traditional Name: 2-[(1R)-3-[diisopropyl(methyl)ammonio]-1-phenyl-propyl]-4-methyl-phenolate Formula: C23H33NO MolecularWeight: 339.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[O-])C(CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)[O-])[C@H](CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C23H33NO/c1-17(2)24(6,18(3)4)15-14-21(20-10-8-7-9-11-20)22-16-19(5)12-13-23(22)25/h7-13,16-18,21H,14-15H2,1-6H3/t21-/m1/s1