(2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (2S,3R)-1-butyl-2-(4-methoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (2S,3R)-1-butyl-5-keto-2-(4-methoxyphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrolidine-3-carboxamide Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CC1=O)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1[C@@H]([C@@H](CC1=O)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H34N4O4/c1-3-4-11-30-24(31)16-22(25(30)20-6-8-21(33-2)9-7-20)26(32)28-18-19-5-10-23(27-17-19)29-12-14-34-15-13-29/h5-10,17,22,25H,3-4,11-16,18H2,1-2H3,(H,28,32)/p+1/t22-,25-/m1/s1