3-[(3,4-dinitro-5-pyridin-2-yl-thiophen-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,4-dinitro-5-pyridin-2-yl-thiophen-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[3,4-dinitro-5-(2-pyridyl)-2-thienyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[3,4-dinitro-5-(2-pyridinyl)-2-thiophenyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dinitro-5-pyridin-2-ylthiophen-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[3,4-dinitro-5-(2-pyridyl)-2-thienyl]amino]propyl-dimethyl-ammonium Formula: C14H18N5O4S+ MolecularWeight: 352.38882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(C(=C(S1)C2=CC=CC=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC1=C(C(=C(S1)C2=CC=CC=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S/c1-17(2)9-5-8-16-14-12(19(22)23)11(18(20)21)13(24-14)10-6-3-4-7-15-10/h3-4,6-7,16H,5,8-9H2,1-2H3/p+1