N-[(3R)-5-bromanyl-1-ethyl-2-oxidanylidene-3H-indol-3-yl]-2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[(3R)-5-bromanyl-1-ethyl-2-oxidanylidene-3H-indol-3-yl]-2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-[(3R)-5-bromo-1-ethyl-2-oxo-indolin-3-yl]-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)acetamide CAS Name: N-[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]-2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]acetamide IUPAC Name: N-[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]-2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)acetamide Traditional Name: N-[(3R)-5-bromo-1-ethyl-2-keto-indolin-3-yl]-2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)acetamide Formula: C21H23BrN5O3+ MolecularWeight: 473.34302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Br)C(C1=O)NC(=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)[C@H](C1=O)NC(=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22BrN5O3/c1-2-27-16-7-6-14(22)13-15(16)18(20(27)29)24-19(28)21(30)26-11-9-25(10-12-26)17-5-3-4-8-23-17/h3-8,13,18H,2,9-12H2,1H3,(H,24,28)/p+1/t18-/m1/s1