methyl 1-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[3-oxidanylidene-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-oxo-3-[4-(2-oxo-1-pyrrolidinyl)anilino]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-keto-3-[4-(2-ketopyrrolidino)anilino]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H27N3O4/c1-27-20(26)15-8-12-22(13-9-15)14-10-18(24)21-16-4-6-17(7-5-16)23-11-2-3-19(23)25/h4-7,15H,2-3,8-14H2,1H3,(H,21,24)/p+1