3-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C21H30N2O2/c1-17-9-11-18(12-10-17)16-25-21-19(7-5-8-20(21)24-4)15-22-13-6-14-23(2)3/h5,7-12,22H,6,13-16H2,1-4H3/p+2