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

Systemtic Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[3-(methylammonio)propyl]ammonium Formula: C21H32N2O2+2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH2+]C)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH2+]C)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H30N2O2/c1-4-24-21-14-19(15-23-13-5-12-22-3)10-11-20(21)25-16-18-8-6-17(2)7-9-18/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3/p+2