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

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-ol CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-ol Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H20ClN3O/c1-12-15(11-19-9-7-14(21)8-10-19)16(17)20(18-12)13-5-3-2-4-6-13/h2-6,14,21H,7-11H2,1H3/p+1