[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-dimethylaminoethyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-dimethylaminoethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-(2-dimethylaminoethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-(2-dimethylaminoethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-(2-dimethylaminoethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-(2-dimethylaminoethyl)ammonium Formula: C18H25BrN3O2+ MolecularWeight: 395.314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(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+1