(3-chlorophenyl)-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C18H23ClN3O+ MolecularWeight: 332.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3O/c1-2-22-12-14(10-20-22)11-21-8-4-6-16(13-21)18(23)15-5-3-7-17(19)9-15/h3,5,7,9-10,12,16H,2,4,6,8,11,13H2,1H3/p+1/t16-/m0/s1