ethyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(4-pyrrolidinoanilino)ethyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H28N4O2S/c1-2-24(15-20(26)22-14-19-6-5-13-28-19)16-21(27)23-17-7-9-18(10-8-17)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,22,26)(H,23,27)/p+1