(3R)-3-[2-(4-morpholin-4-ium-4-ylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(4-morpholin-4-ium-4-ylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-morpholin-4-ium-4-yl-1-piperidyl)-2-oxo-ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(4-morpholin-4-iumyl)-1-piperidinyl]-2-oxoethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-morpholin-4-ium-4-ylpiperidin-1-yl)-2-oxoethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-morpholin-4-ium-4-ylpiperidino)ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C23H36N4O3+2 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCOCC2)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCOCC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C23H34N4O3/c28-22(27-11-7-20(8-12-27)25-14-16-30-17-15-25)18-21-23(29)24-9-13-26(21)10-6-19-4-2-1-3-5-19/h1-5,20-21H,6-18H2,(H,24,29)/p+2/t21-/m1/s1