2-[(4-hexylphenyl)carbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-hexylphenyl)carbonyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-hexylbenzoyl)-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-hexylphenyl)-oxomethyl]-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-hexylbenzoyl)-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-hexylbenzoyl)-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]amino]ethyl-dimethyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC(=O)NC2=NC(=CS2)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)CC(=O)NC2=NC(=CS2)C

InChI

InChI=1S/C23H34N4O2S/c1-5-6-7-8-9-19-10-12-20(13-11-19)22(29)27(15-14-26(3)4)16-21(28)25-23-24-18(2)17-30-23/h10-13,17H,5-9,14-16H2,1-4H3,(H,24,25,28)/p+1