[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Openeye Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone CAS Name: [(3S)-1-(1H-imidazol-5-ylmethyl)-3-piperidin-1-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Traditional Name: [(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-1-ium-3-yl]-(2-methoxyphenyl)methanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CN=CN3

Isomeric SMILES

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

InChI

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