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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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