2-morpholin-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-morpholin-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Openeye Name: 2-morpholino-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide CAS Name: 2-(4-morpholinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-morpholin-4-yl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Traditional Name: 2-morpholino-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C24H31N3O2/c28-24(22-10-4-5-11-23(22)27-15-17-29-18-16-27)25-21-9-6-13-26(19-21)14-12-20-7-2-1-3-8-20/h1-5,7-8,10-11,21H,6,9,12-19H2,(H,25,28)/p+1/t21-/m0/s1