1-morpholin-4-yl-3-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-morpholin-4-yl-3-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-morpholino-3-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-morpholinyl)-3-[1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-morpholin-4-yl-3-[1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-morpholino-3-[1-(3-phenoxybenzyl)piperidin-1-ium-4-yl]propan-1-one Formula: C25H33N2O3+ MolecularWeight: 409.54112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCOCC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c28-25(27-15-17-29-18-16-27)10-9-21-11-13-26(14-12-21)20-22-5-4-8-24(19-22)30-23-6-2-1-3-7-23/h1-8,19,21H,9-18,20H2/p+1