ethyl 2-[4-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate chloride

Systemtic Name: ethyl 2-[4-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate chloride Openeye Name: ethyl 2-[4-[2-(1H-indol-3-yl)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate chloride CAS Name: 2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate chloride Traditional Name: 2-[4-[2-(1H-indol-3-yl)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester chloride Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)N(CC[NH2+]1)CC(=O)C2=CNC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CCOC(=O)CC1C(=O)N(CC[NH2+]1)CC(=O)C2=CNC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C18H21N3O4.ClH/c1-2-25-17(23)9-15-18(24)21(8-7-19-15)11-16(22)13-10-20-14-6-4-3-5-12(13)14;/h3-6,10,15,19-20H,2,7-9,11H2,1H3;1H