(2R)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: (2R)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propanamide Openeye Name: (2R)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propanamide CAS Name: (2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl]-2-(1-pyrazolyl)propanamide IUPAC Name: (2R)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-ylpropanamide Traditional Name: (2R)-N-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-pyrazol-1-yl-propionamide Formula: C19H28N5O+ MolecularWeight: 342.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C([NH+]=CC=C1)N(C)C2CCCCC2)N3C=CC=N3

Isomeric SMILES

C[C@H](C(=O)NCC1=C([NH+]=CC=C1)N(C)C2CCCCC2)N3C=CC=N3

InChI

InChI=1S/C19H27N5O/c1-15(24-13-7-12-22-24)19(25)21-14-16-8-6-11-20-18(16)23(2)17-9-4-3-5-10-17/h6-8,11-13,15,17H,3-5,9-10,14H2,1-2H3,(H,21,25)/p+1/t15-/m1/s1