propyl 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: propyl 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: propyl 2-(1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl)acetate CAS Name: 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-(1-indan-2-yl-3-keto-piperazin-1-ium-2-yl)acetic acid propyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCC[NH+]1C2CC3=CC=CC=C3C2

Isomeric SMILES

CCCOC(=O)CC1C(=O)NCC[NH+]1C2CC3=CC=CC=C3C2

InChI

InChI=1S/C18H24N2O3/c1-2-9-23-17(21)12-16-18(22)19-7-8-20(16)15-10-13-5-3-4-6-14(13)11-15/h3-6,15-16H,2,7-12H2,1H3,(H,19,22)/p+1