N-[[(3R)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: 4-phenyl-N-[[(3R)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methyl]benzamide CAS Name: N-[[(3R)-1-(4-oxanyl)-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-(oxan-4-yl)piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: 4-phenyl-N-[[(3R)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methyl]benzamide Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O2/c27-24(22-10-8-21(9-11-22)20-6-2-1-3-7-20)25-17-19-5-4-14-26(18-19)23-12-15-28-16-13-23/h1-3,6-11,19,23H,4-5,12-18H2,(H,25,27)/p+1/t19-/m1/s1