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

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4-dichloro-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3,4-dichloro-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4-dichloro-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C16H18Cl2N3OS+ MolecularWeight: 371.30462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3OS/c17-13-5-4-11(8-14(13)18)15(22)20-16-19-12(10-23-16)9-21-6-2-1-3-7-21/h4-5,8,10H,1-3,6-7,9H2,(H,19,20,22)/p+1