(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (3-allyl-4-ethoxy-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (3-allyl-4-ethoxy-5-methoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C20H34N2O3+2 MolecularWeight: 350.49556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C[NH2+]CCC[NH+]2CCOCC2)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C[NH2+]CCC[NH+]2CCOCC2)CC=C

InChI

InChI=1S/C20H32N2O3/c1-4-7-18-14-17(15-19(23-3)20(18)25-5-2)16-21-8-6-9-22-10-12-24-13-11-22/h4,14-15,21H,1,5-13,16H2,2-3H3/p+2