N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-chloranyl-4-oxidanyl-benzamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-chloranyl-4-oxidanyl-benzamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-chloro-4-hydroxy-benzamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-3-chloro-4-hydroxybenzamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3-chloro-4-hydroxybenzamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-3-chloro-4-hydroxy-benzamide Formula: C17H21ClN3O2S+ MolecularWeight: 366.88554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)O)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C17H20ClN3O2S/c18-14-9-12(5-6-15(14)22)16(23)20-17-19-13(11-24-17)10-21-7-3-1-2-4-8-21/h5-6,9,11,22H,1-4,7-8,10H2,(H,19,20,23)/p+1