N-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-amine Openeye Name: N-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-2,2,6,6-tetramethyl-piperidin-1-ium-4-amine CAS Name: N-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-2,2,6,6-tetramethyl-4-piperidin-1-iumamine IUPAC Name: N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2,2,6,6-tetramethylpiperidin-1-ium-4-amine Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C20H30ClN4+ MolecularWeight: 361.932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC2CC([NH2+]C(C2)(C)C)(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CNC2CC([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+1