3-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-benzoxy-3-chloro-5-methoxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C20H29ClN2O2+2 MolecularWeight: 364.90946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O2/c1-23(2)11-7-10-22-14-17-12-18(21)20(19(13-17)24-3)25-15-16-8-5-4-6-9-16/h4-6,8-9,12-13,22H,7,10-11,14-15H2,1-3H3/p+2