1-[3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone

Systemtic Name: 1-[3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone CAS Name: 1-[3-[4-[(3S)-3-methyl-1-piperidin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 1-[3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Traditional Name: 1-[3-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butoxy]phenyl]ethanone Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCOC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H27NO2/c1-15-7-6-11-19(14-15)10-3-4-12-21-18-9-5-8-17(13-18)16(2)20/h5,8-9,13,15H,3-4,6-7,10-12,14H2,1-2H3/p+1/t15-/m0/s1