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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]acetamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-23-15-8-6-14(7-9-15)16-13-24-18(19-16)20-17(22)12-21-10-4-2-3-5-11-21/h6-9,13H,2-5,10-12H2,1H3,(H,19,20,22)/p+1