3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one Formula: C28H35N4O4+ MolecularWeight: 491.6019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CC[NH+](CC4)CC(=O)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)N4CC[NH+](CC4)CC(=O)N5CCOCC5

InChI

InChI=1S/C28H34N4O4/c1-35-22-8-6-21(7-9-22)28-24(23-4-2-3-5-25(23)29-28)10-11-26(33)31-14-12-30(13-15-31)20-27(34)32-16-18-36-19-17-32/h2-9,29H,10-20H2,1H3/p+1