(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(3-butoxypropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C18H29BrNO3+ MolecularWeight: 387.33176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrNO3/c1-4-6-10-22-11-7-8-20-14-15-12-16(19)18(23-9-5-2)17(13-15)21-3/h5,12-13,20H,2,4,6-11,14H2,1,3H3/p+1