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

Systemtic Name: 3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C22H34N2O2+2 MolecularWeight: 358.51756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2/c1-5-25-22-15-20(16-23-13-6-14-24(3)4)11-12-21(22)26-17-19-9-7-18(2)8-10-19/h7-12,15,23H,5-6,13-14,16-17H2,1-4H3/p+2