(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-methoxypropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-methoxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-methoxypropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-methoxypropyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-methoxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-methoxypropyl)ammonium Formula: C19H25BrNO3+ MolecularWeight: 395.3107

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

COCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H24BrNO3/c1-22-10-6-9-21-13-16-11-17(20)19(18(12-16)23-2)24-14-15-7-4-3-5-8-15/h3-5,7-8,11-12,21H,6,9-10,13-14H2,1-2H3/p+1