4-[4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]butan-2-one Openeye Name: 4-[4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]butan-2-one CAS Name: 4-[4-[3-(4-methyl-1-piperidin-1-iumyl)propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]butan-2-one Traditional Name: 4-[4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]phenyl]butan-2-one Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCOC2=CC=C(C=C2)CCC(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCOC2=CC=C(C=C2)CCC(=O)C

InChI

InChI=1S/C19H29NO2/c1-16-10-13-20(14-11-16)12-3-15-22-19-8-6-18(7-9-19)5-4-17(2)21/h6-9,16H,3-5,10-15H2,1-2H3/p+1