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

Systemtic Name: [(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]ammonium CAS Name: [(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium Traditional Name: benzyl-[(3S)-3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]ammonium Formula: C26H32NO2+ MolecularWeight: 390.53778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO2/c1-20(2)29-23-15-13-22(14-16-23)24(25-11-7-8-12-26(25)28-3)17-18-27-19-21-9-5-4-6-10-21/h4-16,20,24,27H,17-19H2,1-3H3/p+1/t24-/m0/s1