4-[[[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]methyl]benzenethiolate

Systemtic Name: 4-[[[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]methyl]benzenethiolate Openeye Name: 4-[[[(3R)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]ammonio]methyl]benzenethiolate CAS Name: 4-[[[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]ammonio]methyl]benzenethiolate IUPAC Name: 4-[[[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]methyl]benzenethiolate Traditional Name: 4-[[[(3R)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]ammonio]methyl]benzenethiolate Formula: C26H31NO2S MolecularWeight: 421.59484

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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)[S-])C3=CC=CC=C3OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[C@@H](CC[NH2+]CC2=CC=C(C=C2)[S-])C3=CC=CC=C3OC

InChI

InChI=1S/C26H31NO2S/c1-19(2)29-22-12-10-21(11-13-22)24(25-6-4-5-7-26(25)28-3)16-17-27-18-20-8-14-23(30)15-9-20/h4-15,19,24,27,30H,16-18H2,1-3H3/t24-/m1/s1