2-benzamidoethyl(trimethyl)azanium; 3-nitrobenzenesulfonate

Systemtic Name: 2-benzamidoethyl(trimethyl)azanium; 3-nitrobenzenesulfonate Openeye Name: 2-benzamidoethyl(trimethyl)ammonium; 3-nitrobenzenesulfonate CAS Name: 2-benzamidoethyl(trimethyl)ammonium; 3-nitrobenzenesulfonate IUPAC Name: 2-benzamidoethyl(trimethyl)azanium; 3-nitrobenzenesulfonate Traditional Name: 2-benzamidoethyl(trimethyl)ammonium; 3-nitrobesylate Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC(=O)C1=CC=CC=C1.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCNC(=O)C1=CC=CC=C1.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O.C6H5NO5S/c1-14(2,3)10-9-13-12(15)11-7-5-4-6-8-11;8-7(9)5-2-1-3-6(4-5)13(10,11)12/h4-8H,9-10H2,1-3H3;1-4H,(H,10,11,12)