N-[4-(azocan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: N-[4-(azocan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: N-[4-(azocan-1-ium-1-ylmethyl)thiazol-2-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: N-[4-(1-azocan-1-iumylmethyl)-2-thiazolyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: N-[4-(azocan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: N-[4-(azocan-1-ium-1-ylmethyl)thiazol-2-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C21H29ClN3OS+ MolecularWeight: 406.99246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)C[NH+]3CCCCCCC3)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)N(C2=NC(=CS2)C[NH+]3CCCCCCC3)C(=O)C)C

InChI

InChI=1S/C21H28ClN3OS/c1-15-11-16(2)20(19(22)12-15)25(17(3)26)21-23-18(14-27-21)13-24-9-7-5-4-6-8-10-24/h11-12,14H,4-10,13H2,1-3H3/p+1