(3R)-1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C17H22ClN4O+ MolecularWeight: 333.83578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCCC(C2)C(=O)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC[C@H](C2)C(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H21ClN4O/c1-12-15(11-21-9-5-6-13(10-21)17(19)23)16(18)22(20-12)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-11H2,1H3,(H2,19,23)/p+1/t13-/m1/s1