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

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3S)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3S)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]ammonium Formula: C28H37N2O2+ MolecularWeight: 433.60558

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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=C3OC

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O2/c1-21(2)32-25-16-12-23(13-17-25)26(27-8-6-7-9-28(27)31-5)18-19-29-20-22-10-14-24(15-11-22)30(3)4/h6-17,21,26,29H,18-20H2,1-5H3/p+1/t26-/m0/s1