(2R)-1-(1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)[C@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H30N4O3/c31-24(29-14-16-33-17-15-29)19-28-10-12-30(13-11-28)25(20-6-2-1-3-7-20)26(32)22-18-27-23-9-5-4-8-21(22)23/h1-9,18,25,27H,10-17,19H2/p+1/t25-/m1/s1