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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-cyclohexyl-ammonium Formula: C23H31BrNO2+ MolecularWeight: 433.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H30BrNO2/c1-3-26-22-14-19(15-25-20-7-5-4-6-8-20)13-21(24)23(22)27-16-18-11-9-17(2)10-12-18/h9-14,20,25H,3-8,15-16H2,1-2H3/p+1