ethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+](CC)CC(=O)NCC2=CC=CS2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+](CC)CC(=O)NCC2=CC=CS2)C

InChI

InChI=1S/C20H27N3O2S/c1-4-16-9-6-8-15(3)20(16)22-19(25)14-23(5-2)13-18(24)21-12-17-10-7-11-26-17/h6-11H,4-5,12-14H2,1-3H3,(H,21,24)(H,22,25)/p+1