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

Systemtic Name: 2-[3-[(2-methoxy-2-oxidanylidene-ethyl)-di(propan-2-yl)azaniumyl]-1-phenyl-propyl]-4-methyl-phenolate Openeye Name: 2-[3-[diisopropyl-(2-methoxy-2-oxo-ethyl)ammonio]-1-phenyl-propyl]-4-methyl-phenolate CAS Name: 2-[3-[(2-methoxy-2-oxoethyl)-di(propan-2-yl)ammonio]-1-phenylpropyl]-4-methylphenolate IUPAC Name: 2-[3-[(2-methoxy-2-oxoethyl)-di(propan-2-yl)azaniumyl]-1-phenylpropyl]-4-methylphenolate Traditional Name: 2-[3-[diisopropyl-(2-keto-2-methoxy-ethyl)ammonio]-1-phenyl-propyl]-4-methyl-phenolate Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3/c1-18(2)26(19(3)4,17-25(28)29-6)15-14-22(21-10-8-7-9-11-21)23-16-20(5)12-13-24(23)27/h7-13,16,18-19,22H,14-15,17H2,1-6H3