methyl 2-[(2S)-3-oxidanylidene-1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-keto-2-(4-pyrrolidinoanilino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C19H27N4O4+ MolecularWeight: 375.44208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H26N4O4/c1-27-18(25)12-16-19(26)20-8-11-23(16)13-17(24)21-14-4-6-15(7-5-14)22-9-2-3-10-22/h4-7,16H,2-3,8-13H2,1H3,(H,20,26)(H,21,24)/p+1/t16-/m0/s1