2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-(4-bromophenyl)ethanamide; naphthalene-2-sulfonate

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-(4-bromophenyl)ethanamide; naphthalene-2-sulfonate Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-(4-bromophenyl)acetamide; naphthalene-2-sulfonate CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-(4-bromophenyl)acetamide; 2-naphthalenesulfonate IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-(4-bromophenyl)acetamide; naphthalene-2-sulfonate Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-(4-bromophenyl)acetamide; naphthalene-2-sulfonate Formula: C24H26BrN3O4S MolecularWeight: 532.44994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC(=O)NC3=CC=C(C=C3)Br.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)NC3=CC=C(C=C3)Br.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18BrN3O.C10H8O3S/c15-12-1-3-13(4-2-12)16-14(19)11-18-8-5-17(6-9-18)7-10-18;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-11H2;1-7H,(H,11,12,13)