[3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-phenethyl-azanium

Systemtic Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-phenethyl-azanium Openeye Name: (3-ethoxy-4-isobutoxy-phenyl)methyl-phenethyl-ammonium CAS Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-phenethylammonium IUPAC Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]methyl-phenethylazanium Traditional Name: (3-ethoxy-4-isobutoxy-benzyl)-phenethyl-ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-4-23-21-14-19(10-11-20(21)24-16-17(2)3)15-22-13-12-18-8-6-5-7-9-18/h5-11,14,17,22H,4,12-13,15-16H2,1-3H3/p+1