2-[(4-ethylphenyl)carbonyl-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethylphenyl)carbonyl-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethylbenzoyl)-[2-oxo-2-(thiazol-2-ylamino)ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethylphenyl)-oxomethyl]-[2-oxo-2-(2-thiazolylamino)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethylbenzoyl)-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethylbenzoyl)-[2-keto-2-(thiazol-2-ylamino)ethyl]amino]ethyl-dimethyl-ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC(=O)NC2=NC=CS2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC(=O)NC2=NC=CS2

InChI

InChI=1S/C18H24N4O2S/c1-4-14-5-7-15(8-6-14)17(24)22(11-10-21(2)3)13-16(23)20-18-19-9-12-25-18/h5-9,12H,4,10-11,13H2,1-3H3,(H,19,20,23)/p+1