3-[1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-[(1R)-2-(4-hydroxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-[(1R)-2-(4-hydroxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)O)[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C[C@H](CC1=CC=C(C=C1)O)[NH+]2CCC(CC2)CCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-18(15-20-4-7-22(27)8-5-20)26-13-10-19(11-14-26)6-9-23(28)25-17-21-3-2-12-24-16-21/h2-5,7-8,12,16,18-19,27H,6,9-11,13-15,17H2,1H3,(H,25,28)/p+1/t18-/m1/s1