N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiadiazole-4-carboxamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-4-thiadiazolecarboxamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiadiazole-4-carboxamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiadiazole-4-carboxamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CSN=N3

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CSN=N3

InChI

InChI=1S/C16H21N5OS/c1-21(13-7-3-2-4-8-13)15-12(6-5-9-17-15)10-18-16(22)14-11-23-20-19-14/h5-6,9,11,13H,2-4,7-8,10H2,1H3,(H,18,22)/p+1