2-[[3-(3-methylphenyl)-3-oxidanyl-3-phenyl-propyl]-di(propan-2-yl)azaniumyl]ethanoate

Systemtic Name: 2-[[3-(3-methylphenyl)-3-oxidanyl-3-phenyl-propyl]-di(propan-2-yl)azaniumyl]ethanoate Openeye Name: 2-[[3-hydroxy-3-(m-tolyl)-3-phenyl-propyl]-diisopropyl-ammonio]acetate CAS Name: 2-[[3-hydroxy-3-(3-methylphenyl)-3-phenylpropyl]-di(propan-2-yl)ammonio]acetate IUPAC Name: 2-[[3-hydroxy-3-(3-methylphenyl)-3-phenylpropyl]-di(propan-2-yl)azaniumyl]acetate Traditional Name: 2-[[3-hydroxy-3-(m-tolyl)-3-phenyl-propyl]-diisopropyl-ammonio]acetate Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO3/c1-18(2)25(19(3)4,17-23(26)27)15-14-24(28,21-11-7-6-8-12-21)22-13-9-10-20(5)16-22/h6-13,16,18-19,28H,14-15,17H2,1-5H3