3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Openeye Name: 3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide CAS Name: 3-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(2-phenoxyphenyl)propanamide IUPAC Name: 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Traditional Name: 3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propionamide Formula: C25H33N4O4+ MolecularWeight: 453.55392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4/c30-24(26-22-8-4-5-9-23(22)33-21-6-2-1-3-7-21)10-11-27-12-14-28(15-13-27)20-25(31)29-16-18-32-19-17-29/h1-9H,10-20H2,(H,26,30)/p+1