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

Systemtic Name: 3-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(4-allyloxy-3-bromo-5-methoxy-benzyl)ammonio]propyl-diethyl-ammonium Formula: C18H31BrN2O2+2 MolecularWeight: 387.35494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O2/c1-5-11-23-18-16(19)12-15(13-17(18)22-4)14-20-9-8-10-21(6-2)7-3/h5,12-13,20H,1,6-11,14H2,2-4H3/p+2