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

Systemtic Name: ethyl 2-[(2R)-4-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[(2R)-4-[2-(1H-indol-3-yl)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-4-[2-(1H-indol-3-yl)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-4-[2-(1H-indol-3-yl)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-4-[2-(1H-indol-3-yl)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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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

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)N(CC[NH2+]1)CC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H21N3O4/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/p+1/t15-/m1/s1