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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl]piperidin-1-ium-4-carboxamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O4/c29-24(26-20-8-9-21-22(16-20)32-17-31-21)19-10-14-27(15-11-19)23(18-6-2-1-3-7-18)25(30)28-12-4-5-13-28/h1-3,6-9,16,19,23H,4-5,10-15,17H2,(H,26,29)/p+1/t23-/m1/s1