(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C20H31ClN4+2 MolecularWeight: 362.93994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]C2CC([NH2+]C(C2)(C)C)(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]C2CC([NH2+]C(C2)(C)C)(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H29ClN4/c1-14-17(18(21)25(23-14)16-9-7-6-8-10-16)13-22-15-11-19(2,3)24-20(4,5)12-15/h6-10,15,22,24H,11-13H2,1-5H3/p+2