[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-phenethyl-azanium

Systemtic Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-phenethyl-ammonium CAS Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-phenethylammonium IUPAC Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-phenethylazanium Traditional Name: [3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-phenethyl-ammonium Formula: C25H30NO2+ MolecularWeight: 376.5112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CC=C2)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C25H29NO2/c1-3-27-25-17-23(18-26-16-15-21-7-5-4-6-8-21)13-14-24(25)28-19-22-11-9-20(2)10-12-22/h4-14,17,26H,3,15-16,18-19H2,1-2H3/p+1