(3-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (3-bromanyl-4-butoxy-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (3-bromo-4-butoxy-5-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (3-bromo-4-butoxy-5-methoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-bromo-4-butoxy-5-methoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (3-bromo-4-butoxy-5-methoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C19H33BrN2O3+2 MolecularWeight: 417.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CCC[NH+]2CCOCC2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C[NH2+]CCC[NH+]2CCOCC2)OC

InChI

InChI=1S/C19H31BrN2O3/c1-3-4-10-25-19-17(20)13-16(14-18(19)23-2)15-21-6-5-7-22-8-11-24-12-9-22/h13-14,21H,3-12,15H2,1-2H3/p+2