2-[(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[(4-allyloxy-3-chloro-5-ethoxy-phenyl)methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[(4-allyloxy-3-chloro-5-ethoxy-benzyl)ammonio]ethyl-dimethyl-ammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC[NH+](C)C)Cl)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC[NH+](C)C)Cl)OCC=C

InChI

InChI=1S/C16H25ClN2O2/c1-5-9-21-16-14(17)10-13(11-15(16)20-6-2)12-18-7-8-19(3)4/h5,10-11,18H,1,6-9,12H2,2-4H3/p+2