(3-chlorophenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C19H25ClN3O+ MolecularWeight: 346.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H24ClN3O/c1-14(2)23-12-15(10-21-23)11-22-8-4-6-17(13-22)19(24)16-5-3-7-18(20)9-16/h3,5,7,9-10,12,14,17H,4,6,8,11,13H2,1-2H3/p+1/t17-/m0/s1