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

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-[3-(methylammonio)propyl]ammonium Formula: C18H26BrN3O2+2 MolecularWeight: 396.32194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O2/c1-20-6-4-8-22-12-15-9-16(19)18(17(10-15)23-2)24-13-14-5-3-7-21-11-14/h3,5,7,9-11,20,22H,4,6,8,12-13H2,1-2H3/p+2