(3-chlorophenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-[(3-isopropyl-1H-pyrazol-5-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)C1=NNC(=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H24ClN3O/c1-13(2)18-10-17(21-22-18)12-23-8-4-6-15(11-23)19(24)14-5-3-7-16(20)9-14/h3,5,7,9-10,13,15H,4,6,8,11-12H2,1-2H3,(H,21,22)/p+1/t15-/m0/s1