6-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[(5-bromo-2-methoxy-benzyl)-methyl-amino]pyridin-1-ium-3-sulfonamide Formula: C14H17BrN3O3S+ MolecularWeight: 387.27208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C14H16BrN3O3S/c1-18(9-10-7-11(15)3-5-13(10)21-2)14-6-4-12(8-17-14)22(16,19)20/h3-8H,9H2,1-2H3,(H2,16,19,20)/p+1