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

Systemtic Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(2-methoxyphenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-(2-methoxyphenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidinyl]-(2-methoxyphenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)piperidin-3-yl]-(2-methoxyphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-3-ium-2-ylmethyl)-3-piperidyl]-(2-methoxyphenyl)methanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2CCCN(C2)CC3=[NH+]C=CN3

Isomeric SMILES

COC1=CC=CC=C1C(=O)[C@H]2CCCN(C2)CC3=[NH+]C=CN3

InChI

InChI=1S/C17H21N3O2/c1-22-15-7-3-2-6-14(15)17(21)13-5-4-10-20(11-13)12-16-18-8-9-19-16/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,18,19)/p+1/t13-/m0/s1