4-[4-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one CAS Name: 4-[4-[4-[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[4-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one Traditional Name: 4-[4-[4-[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]butoxy]phenyl]butan-2-one Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-20(27)9-10-21-11-13-23(14-12-21)28-18-5-4-17-26-16-3-2-8-24(26)22-7-6-15-25-19-22/h6-7,11-15,19,24H,2-5,8-10,16-18H2,1H3/p+1/t24-/m1/s1