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

Systemtic Name: 3-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(4-benzoxy-3-chloro-5-methoxy-benzyl)ammonio]propyl-diethyl-ammonium Formula: C22H33ClN2O2+2 MolecularWeight: 392.96262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O2/c1-4-25(5-2)13-9-12-24-16-19-14-20(23)22(21(15-19)26-3)27-17-18-10-7-6-8-11-18/h6-8,10-11,14-15,24H,4-5,9,12-13,16-17H2,1-3H3/p+2