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

Systemtic Name: 3-[(4-butoxyphenyl)carbonyl-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-butoxybenzoyl)-[2-oxo-2-(thiazol-2-ylamino)ethyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-butoxyphenyl)-oxomethyl]-[2-oxo-2-(2-thiazolylamino)ethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-butoxybenzoyl)-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-butoxybenzoyl)-[2-keto-2-(thiazol-2-ylamino)ethyl]amino]propyl-dimethyl-ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)CC(=O)NC2=NC=CS2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)CC(=O)NC2=NC=CS2

InChI

InChI=1S/C21H30N4O3S/c1-4-5-14-28-18-9-7-17(8-10-18)20(27)25(13-6-12-24(2)3)16-19(26)23-21-22-11-15-29-21/h7-11,15H,4-6,12-14,16H2,1-3H3,(H,22,23,26)/p+1