N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4,5-dimethyl-thiophene-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4,5-dimethyl-thiophene-2-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4,5-dimethyl-thiophene-2-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-4,5-dimethyl-2-thiophenecarboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4,5-dimethylthiophene-2-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-4,5-dimethyl-thiophene-2-carboxamide Formula: C17H24N3OS2+ MolecularWeight: 350.52196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C17H23N3OS2/c1-12-9-15(23-13(12)2)16(21)19-17-18-14(11-22-17)10-20-7-5-3-4-6-8-20/h9,11H,3-8,10H2,1-2H3,(H,18,19,21)/p+1