(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C18H29BrN2O3+2 MolecularWeight: 401.33846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC=C

InChI

InChI=1S/C18H27BrN2O3/c1-3-9-24-18-16(19)12-15(13-17(18)22-2)14-20-5-4-6-21-7-10-23-11-8-21/h3,12-13,20H,1,4-11,14H2,2H3/p+2