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

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[2-keto-2-(4-piperidinoanilino)ethyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCC[NH+]1CC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C20H28N4O4/c1-28-19(26)13-17-20(27)21-9-12-24(17)14-18(25)22-15-5-7-16(8-6-15)23-10-3-2-4-11-23/h5-8,17H,2-4,9-14H2,1H3,(H,21,27)(H,22,25)/p+1/t17-/m0/s1