[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-[(1S)-1-phenylethyl]ammonium Formula: C23H25BrNO+ MolecularWeight: 411.3547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+][C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C23H24BrNO/c1-17-8-10-19(11-9-17)16-26-23-13-12-22(24)14-21(23)15-25-18(2)20-6-4-3-5-7-20/h3-14,18,25H,15-16H2,1-2H3/p+1/t18-/m0/s1