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

Systemtic Name: 2-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylammonio]ethyl-diethylammonium IUPAC Name: 2-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[(4-allyloxy-3-chloro-5-methoxy-benzyl)ammonio]ethyl-diethyl-ammonium Formula: C17H29ClN2O2+2 MolecularWeight: 328.87736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27ClN2O2/c1-5-10-22-17-15(18)11-14(12-16(17)21-4)13-19-8-9-20(6-2)7-3/h5,11-12,19H,1,6-10,13H2,2-4H3/p+2