(2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O4/c1-15-2-3-18-16(12-15)17(13-22-18)20(21(27)28)25-6-4-23(5-7-25)14-19(26)24-8-10-29-11-9-24/h2-3,12-13,20,22H,4-11,14H2,1H3,(H,27,28)/t20-/m0/s1