5-(azocan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(azocan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(azocan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-(1-azocan-1-iumylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(azocan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-(azocan-1-ium-1-ylmethyl)-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C17H22ClN4OS+ MolecularWeight: 365.90078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4OS/c18-13-6-8-14(9-7-13)19-16(23)17-21-20-15(24-17)12-22-10-4-2-1-3-5-11-22/h6-9H,1-5,10-12H2,(H,19,23)/p+1