[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[(1R)-1-phenylethyl]ammonium Formula: C25H29BrNO2+ MolecularWeight: 455.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+][C@H](C)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C25H28BrNO2/c1-4-28-24-15-21(16-27-19(3)22-8-6-5-7-9-22)14-23(26)25(24)29-17-20-12-10-18(2)11-13-20/h5-15,19,27H,4,16-17H2,1-3H3/p+1/t19-/m1/s1