[(3S)-1-methylpiperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-methylpiperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-methyl-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-methylpiperidin-1-ium-3-yl]methanone Formula: C16H24NO2+ MolecularWeight: 262.36726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C16H23NO2/c1-12(2)19-15-8-4-6-13(10-15)16(18)14-7-5-9-17(3)11-14/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3/p+1/t14-/m0/s1