(3R)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C25H29N4O5+ MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O5/c30-23(26-18-4-2-1-3-5-18)15-28-10-8-19(9-11-28)27-25(32)17-12-24(31)29(14-17)20-6-7-21-22(13-20)34-16-33-21/h1-7,13,17,19H,8-12,14-16H2,(H,26,30)(H,27,32)/p+1/t17-/m1/s1