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

Systemtic Name: 3-[(3-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3-methoxy-4-phenylmethoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3-methoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-benzoxy-3-methoxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H28N2O2/c1-22(2)13-7-12-21-15-18-10-11-19(20(14-18)23-3)24-16-17-8-5-4-6-9-17/h4-6,8-11,14,21H,7,12-13,15-16H2,1-3H3/p+2