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

Systemtic Name: 3-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-methoxy-4-(m-tolylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-methoxy-4-(3-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(=CC=C1)COC2=C(C=C(C=C2)C[NH2+]CCC[NH+](C)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C[NH2+]CCC[NH+](C)C)OC

InChI

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