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

Systemtic Name: [2-[(3-nitrophenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[3-nitro-N-(2-thienylmethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[3-nitro-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[3-nitro-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium Traditional Name: benzyl-[2-keto-2-[3-nitro-N-(2-thenyl)anilino]ethyl]ammonium Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC(=O)N(CC2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC(=O)N(CC2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c24-20(14-21-13-16-6-2-1-3-7-16)22(15-19-10-5-11-27-19)17-8-4-9-18(12-17)23(25)26/h1-12,21H,13-15H2/p+1