2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-4,6-dimethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-4,6-dimethylpyridin-1-ium-3-carboxamide Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Formula: C17H21BrN3O2+ MolecularWeight: 379.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)N(C)CC2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)N(C)CC2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C17H20BrN3O2/c1-10-7-11(2)20-17(15(10)16(19)22)21(3)9-12-8-13(18)5-6-14(12)23-4/h5-8H,9H2,1-4H3,(H2,19,22)/p+1