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

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiazole-4-carboxamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]thiazole-4-carboxamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-21(14-7-3-2-4-8-14)16-13(6-5-9-18-16)10-19-17(22)15-11-23-12-20-15/h5-6,9,11-12,14H,2-4,7-8,10H2,1H3,(H,19,22)/p+1