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

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C16H27BrNO3+ MolecularWeight: 361.29448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26BrNO3/c1-4-5-8-21-9-6-7-18-12-13-10-14(17)16(20-3)15(11-13)19-2/h10-11,18H,4-9,12H2,1-3H3/p+1