[(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: (4-phenoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-(4-oxanyl)-3-piperidin-1-iumyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(oxan-4-yl)piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: (4-phenoxyphenyl)-[(3S)-1-tetrahydropyran-4-ylpiperidin-1-ium-3-yl]methanone Formula: C23H28NO3+ MolecularWeight: 366.47332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCOCC2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCOCC2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H27NO3/c25-23(19-5-4-14-24(17-19)20-12-15-26-16-13-20)18-8-10-22(11-9-18)27-21-6-2-1-3-7-21/h1-3,6-11,19-20H,4-5,12-17H2/p+1/t19-/m0/s1