[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C23H26BrN2O2+ MolecularWeight: 442.36874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H25BrN2O2/c1-3-27-22-12-20(15-26-14-19-5-4-10-25-13-19)11-21(24)23(22)28-16-18-8-6-17(2)7-9-18/h4-13,26H,3,14-16H2,1-2H3/p+1