methyl 2-[(2S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[2-(indan-5-ylamino)-2-oxo-ethyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-(indan-5-ylamino)-2-keto-ethyl]-3-keto-piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H23N3O4/c1-25-17(23)10-15-18(24)19-7-8-21(15)11-16(22)20-14-6-5-12-3-2-4-13(12)9-14/h5-6,9,15H,2-4,7-8,10-11H2,1H3,(H,19,24)(H,20,22)/p+1/t15-/m0/s1