5-(chloromethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2,4,6-trinitrophenolate

Systemtic Name: 5-(chloromethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2,4,6-trinitrophenolate Openeye Name: 5-(chloromethyl)-N-phenyl-4,5-dihydrothiazol-3-ium-2-amine; 2,4,6-trinitrophenolate CAS Name: 5-(chloromethyl)-N-phenyl-4,5-dihydrothiazol-3-ium-2-amine; 2,4,6-trinitrophenolate IUPAC Name: 5-(chloromethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-3-ium-2-amine; 2,4,6-trinitrophenolate Traditional Name: [5-(chloromethyl)-2-thiazolin-3-ium-2-yl]-phenyl-amine picrate Formula: C16H14ClN5O7S MolecularWeight: 455.82966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=[NH+]1)NC2=CC=CC=C2)CCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(SC(=[NH+]1)NC2=CC=CC=C2)CCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11ClN2S.C6H3N3O7/c11-6-9-7-12-10(14-9)13-8-4-2-1-3-5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5,9H,6-7H2,(H,12,13);1-2,10H