(3-bromanyl-4,5-diethoxy-phenyl)methyl-(3-butoxypropyl)azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C18H31BrNO3+ MolecularWeight: 389.34764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30BrNO3/c1-4-7-10-21-11-8-9-20-14-15-12-16(19)18(23-6-3)17(13-15)22-5-2/h12-13,20H,4-11,14H2,1-3H3/p+1