1-ethyl-1-(phenylmethyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: 1-ethyl-1-(phenylmethyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Openeye Name: 1-benzyl-1-ethyl-aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate CAS Name: 1-ethyl-1-(phenylmethyl)aziridin-1-ium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: 1-benzyl-1-ethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate Traditional Name: 1-benzyl-1-ethyl-ethylenimin-1-ium; 2,4,6-trinitrobesylate Formula: C17H18N4O9S MolecularWeight: 454.41122

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC1)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[N+]1(CC1)CC2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H16N.C6H3N3O9S/c1-2-12(8-9-12)10-11-6-4-3-5-7-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h3-7H,2,8-10H2,1H3;1-2H,(H,16,17,18)/q+1;/p-1