(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C19H27BrN2O2+2 MolecularWeight: 395.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O2/c1-21-9-6-10-22-13-16-11-17(20)19(18(12-16)23-2)24-14-15-7-4-3-5-8-15/h3-5,7-8,11-12,21-22H,6,9-10,13-14H2,1-2H3/p+2