1-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone

Systemtic Name: 1-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone CAS Name: 1-[2-[4-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 1-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Traditional Name: 1-[2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCCOC2=CC=CC=C2C(=O)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCCOC2=CC=CC=C2C(=O)C)C

InChI

InChI=1S/C19H29NO2/c1-15-12-16(2)14-20(13-15)10-6-7-11-22-19-9-5-4-8-18(19)17(3)21/h4-5,8-9,15-16H,6-7,10-14H2,1-3H3/p+1/t15-,16-/m1/s1