(4-methoxyphenyl)methyl-[(3S)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(3S)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium Openeye Name: [(3S)-3-(4-isopropoxyphenyl)-3-(p-tolyl)propyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(3S)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(3S)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium Traditional Name: [(3S)-3-(4-isopropoxyphenyl)-3-(p-tolyl)propyl]-p-anisyl-ammonium Formula: C27H34NO2+ MolecularWeight: 404.56436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC[NH2+]CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC[NH2+]CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C27H33NO2/c1-20(2)30-26-15-11-24(12-16-26)27(23-9-5-21(3)6-10-23)17-18-28-19-22-7-13-25(29-4)14-8-22/h5-16,20,27-28H,17-19H2,1-4H3/p+1/t27-/m0/s1