N-(4-bromophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide; naphthalene-2-sulfonate

Systemtic Name: N-(4-bromophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide; naphthalene-2-sulfonate Openeye Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; naphthalene-2-sulfonate CAS Name: N-(4-bromophenyl)-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide; 2-naphthalenesulfonate IUPAC Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; naphthalene-2-sulfonate Traditional Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; naphthalene-2-sulfonate Formula: C23H19BrN2O5S MolecularWeight: 515.37636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H11BrN2O2.C10H8O3S/c14-10-3-5-11(6-4-10)15-13(18)9-16-7-1-2-12(17)8-16;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-8H,9H2,(H-,15,17,18);1-7H,(H,11,12,13)