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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopropyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-cyclopropyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopropylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclopropylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-cyclopropyl-ammonium Formula: C20H25BrNO2+ MolecularWeight: 391.322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CC2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CC2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H24BrNO2/c1-3-23-19-11-16(12-22-17-8-9-17)10-18(21)20(19)24-13-15-6-4-14(2)5-7-15/h4-7,10-11,17,22H,3,8-9,12-13H2,1-2H3/p+1