ethyl-[(4-nitrophenyl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[(4-nitrophenyl)methyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[(4-nitrophenyl)methyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[(4-nitrophenyl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[(4-nitrophenyl)methyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(2-thenylamino)ethyl]-(4-nitrobenzyl)ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NCC2=CC=CS2

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NCC2=CC=CS2

InChI

InChI=1S/C16H19N3O3S/c1-2-18(11-13-5-7-14(8-6-13)19(21)22)12-16(20)17-10-15-4-3-9-23-15/h3-9H,2,10-12H2,1H3,(H,17,20)/p+1