2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylazaniumyl]ethyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O2/c1-22(2)8-7-21-12-15-9-16(19)18(17(10-15)23-3)24-13-14-5-4-6-20-11-14/h4-6,9-11,21H,7-8,12-13H2,1-3H3/p+2