(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-(3-butoxypropyl)azanium

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C17H29BrNO3+ MolecularWeight: 375.32106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28BrNO3/c1-4-6-9-21-10-7-8-19-13-14-11-15(18)17(22-5-2)16(12-14)20-3/h11-12,19H,4-10,13H2,1-3H3/p+1