2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-(thiophen-3-ylmethyl)azanium Openeye Name: 2-(2-chloro-4-nitro-anilino)ethyl-(3-thienylmethyl)ammonium CAS Name: 2-(2-chloro-4-nitroanilino)ethyl-(3-thiophenylmethyl)ammonium IUPAC Name: 2-(2-chloro-4-nitroanilino)ethyl-(thiophen-3-ylmethyl)azanium Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-(3-thenyl)ammonium Formula: C13H15ClN3O2S+ MolecularWeight: 312.7951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCC[NH2+]CC2=CSC=C2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCC[NH2+]CC2=CSC=C2

InChI

InChI=1S/C13H14ClN3O2S/c14-12-7-11(17(18)19)1-2-13(12)16-5-4-15-8-10-3-6-20-9-10/h1-3,6-7,9,15-16H,4-5,8H2/p+1