4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]methyl]phenolate

Systemtic Name: 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]methyl]phenolate Openeye Name: 4-[[[3-(4-isopropoxyphenyl)-3-phenyl-propyl]ammonio]methyl]phenolate CAS Name: 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]ammonio]methyl]phenolate IUPAC Name: 4-[[[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]methyl]phenolate Traditional Name: 4-[[[3-(4-isopropoxyphenyl)-3-phenyl-propyl]ammonio]methyl]phenolate Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(CC[NH2+]CC2=CC=C(C=C2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(CC[NH2+]CC2=CC=C(C=C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C25H29NO2/c1-19(2)28-24-14-10-22(11-15-24)25(21-6-4-3-5-7-21)16-17-26-18-20-8-12-23(27)13-9-20/h3-15,19,25-27H,16-18H2,1-2H3