1-[3-[4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butoxy]phenyl]ethanone

Systemtic Name: 1-[3-[4-[4-(phenylmethyl)piperidin-1-ium-1-yl]butoxy]phenyl]ethanone Openeye Name: 1-[3-[4-(4-benzylpiperidin-1-ium-1-yl)butoxy]phenyl]ethanone CAS Name: 1-[3-[4-[4-(phenylmethyl)-1-piperidin-1-iumyl]butoxy]phenyl]ethanone IUPAC Name: 1-[3-[4-(4-benzylpiperidin-1-ium-1-yl)butoxy]phenyl]ethanone Traditional Name: 1-[3-[4-(4-benzylpiperidin-1-ium-1-yl)butoxy]phenyl]ethanone Formula: C24H32NO2+ MolecularWeight: 366.51638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCCCC[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCCCC[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO2/c1-20(26)23-10-7-11-24(19-23)27-17-6-5-14-25-15-12-22(13-16-25)18-21-8-3-2-4-9-21/h2-4,7-11,19,22H,5-6,12-18H2,1H3/p+1