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

Systemtic Name: (4-cyanophenyl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (4-cyanophenyl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (4-cyanophenyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (4-cyanobenzyl)-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-2-20(12-15-7-5-14(10-18)6-8-15)13-17(21)19-11-16-4-3-9-22-16/h3-9H,2,11-13H2,1H3,(H,19,21)/p+1