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

Systemtic Name: ethyl 2-[1-(1H-indol-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-(1H-indol-3-ylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(1H-indol-3-ylmethyl)-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(1H-indol-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(1H-indol-3-ylmethyl)-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CC1C(=O)NCC[NH+]1CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O3/c1-2-23-16(21)9-15-17(22)18-7-8-20(15)11-12-10-19-14-6-4-3-5-13(12)14/h3-6,10,15,19H,2,7-9,11H2,1H3,(H,18,22)/p+1