(4-chlorophenyl)-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]methanone Formula: C16H19ClN3O+ MolecularWeight: 304.79456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=[NH+]C=CN2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=[NH+]C=CN2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H18ClN3O/c17-14-5-3-12(4-6-14)16(21)13-2-1-9-20(10-13)11-15-18-7-8-19-15/h3-8,13H,1-2,9-11H2,(H,18,19)/p+1/t13-/m0/s1