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

Systemtic Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C21H31ClN2O2+2 MolecularWeight: 378.93604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+](C)C)OCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+](C)C)OCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H29ClN2O2/c1-4-25-21-14-17(15-23-12-7-13-24(2)3)10-11-20(21)26-16-18-8-5-6-9-19(18)22/h5-6,8-11,14,23H,4,7,12-13,15-16H2,1-3H3/p+2