1-[3-[2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone

Systemtic Name: 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone Openeye Name: 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone CAS Name: 1-[3-[2-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethoxy]ethoxy]phenyl]ethanone IUPAC Name: 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone Traditional Name: 1-[3-[2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethoxy]ethoxy]phenyl]ethanone Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOCCOC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOCCOC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H27NO3/c1-15-5-4-8-19(14-15)9-10-21-11-12-22-18-7-3-6-17(13-18)16(2)20/h3,6-7,13,15H,4-5,8-12,14H2,1-2H3/p+1/t15-/m0/s1