(3-chlorophenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C18H20ClN2O+ MolecularWeight: 315.8172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN2O/c19-17-5-1-3-15(11-17)18(22)16-4-2-10-21(13-16)12-14-6-8-20-9-7-14/h1,3,5-9,11,16H,2,4,10,12-13H2/p+1/t16-/m0/s1