(4-dimethylaminophenyl)methyl-[(3R)-3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3R)-3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3R)-3-(4-isopropoxyphenyl)-3-phenyl-propyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3R)-3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3R)-3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3R)-3-(4-isopropoxyphenyl)-3-phenyl-propyl]ammonium Formula: C27H35N2O+ MolecularWeight: 403.5796

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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)N(C)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O/c1-21(2)30-26-16-12-24(13-17-26)27(23-8-6-5-7-9-23)18-19-28-20-22-10-14-25(15-11-22)29(3)4/h5-17,21,27-28H,18-20H2,1-4H3/p+1/t27-/m1/s1