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

Systemtic Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-propan-2-yl-pyrazole-4-carboxamide Openeye Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-isopropyl-pyrazole-4-carboxamide CAS Name: N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-1-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide Traditional Name: N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-1-isopropyl-pyrazole-4-carboxamide Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)C3CCCCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)NCC2=C([NH+]=CC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C20H29N5O/c1-15(2)25-14-17(13-23-25)20(26)22-12-16-8-7-11-21-19(16)24(3)18-9-5-4-6-10-18/h7-8,11,13-15,18H,4-6,9-10,12H2,1-3H3,(H,22,26)/p+1