N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dichlorophenyl)ethanamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dichlorophenyl)ethanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-N-(3,4-dichlorophenyl)acetamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-N-(3,4-dichlorophenyl)acetamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-N-(3,4-dichlorophenyl)acetamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-N-(3,4-dichlorophenyl)acetamide Formula: C18H22Cl2N3OS+ MolecularWeight: 399.35778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=C(C=C1)Cl)Cl)C2=NC(=CS2)C[NH+]3CCCCCC3

Isomeric SMILES

CC(=O)N(C1=CC(=C(C=C1)Cl)Cl)C2=NC(=CS2)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H21Cl2N3OS/c1-13(24)23(15-6-7-16(19)17(20)10-15)18-21-14(12-25-18)11-22-8-4-2-3-5-9-22/h6-7,10,12H,2-5,8-9,11H2,1H3/p+1