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

Systemtic Name: 4-[4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]phenyl]butan-2-one CAS Name: 4-[4-[4-(4-methyl-1-piperidin-1-iumyl)butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]phenyl]butan-2-one Traditional Name: 4-[4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]phenyl]butan-2-one Formula: C20H32NO2+ MolecularWeight: 318.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)CCC(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)CCC(=O)C

InChI

InChI=1S/C20H31NO2/c1-17-11-14-21(15-12-17)13-3-4-16-23-20-9-7-19(8-10-20)6-5-18(2)22/h7-10,17H,3-6,11-16H2,1-2H3/p+1