2-[(4-nitrophenyl)amino]ethyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: 2-[(4-nitrophenyl)amino]ethyl-(thiophen-3-ylmethyl)azanium Openeye Name: 2-(4-nitroanilino)ethyl-(3-thienylmethyl)ammonium CAS Name: 2-(4-nitroanilino)ethyl-(3-thiophenylmethyl)ammonium IUPAC Name: 2-(4-nitroanilino)ethyl-(thiophen-3-ylmethyl)azanium Traditional Name: 2-(4-nitroanilino)ethyl-(3-thenyl)ammonium Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCC[NH2+]CC2=CSC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCC[NH2+]CC2=CSC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c17-16(18)13-3-1-12(2-4-13)15-7-6-14-9-11-5-8-19-10-11/h1-5,8,10,14-15H,6-7,9H2/p+1