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

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C17H21ClN3O+ MolecularWeight: 318.82114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN3O/c1-20-10-13(9-19-20)11-21-7-3-5-15(12-21)17(22)14-4-2-6-16(18)8-14/h2,4,6,8-10,15H,3,5,7,11-12H2,1H3/p+1/t15-/m0/s1