azanyl-[(3-chloranylthiophen-2-yl)methyl]-(3-nitropyridin-2-yl)-propyl-azanium

Systemtic Name: azanyl-[(3-chloranylthiophen-2-yl)methyl]-(3-nitropyridin-2-yl)-propyl-azanium Openeye Name: amino-[(3-chloro-2-thienyl)methyl]-(3-nitro-2-pyridyl)-propyl-ammonium CAS Name: amino-[(3-chloro-2-thiophenyl)methyl]-(3-nitro-2-pyridinyl)-propylammonium IUPAC Name: amino-[(3-chlorothiophen-2-yl)methyl]-(3-nitropyridin-2-yl)-propylazanium Traditional Name: amino-[(3-chloro-2-thienyl)methyl]-(3-nitro-2-pyridyl)-propyl-ammonium Formula: C13H16ClN4O2S+ MolecularWeight: 327.80974

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC1=C(C=CS1)Cl)(C2=C(C=CC=N2)[N+](=O)[O-])N

Isomeric SMILES

CCC[N+](CC1=C(C=CS1)Cl)(C2=C(C=CC=N2)[N+](=O)[O-])N

InChI

InChI=1S/C13H16ClN4O2S/c1-2-7-18(15,9-12-10(14)5-8-21-12)13-11(17(19)20)4-3-6-16-13/h3-6,8H,2,7,9,15H2,1H3/q+1