N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoindoline-5-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C)[NH+]4CCCC4

InChI

InChI=1S/C25H27N3O4/c1-3-11-28-24(30)20-10-9-18(15-21(20)25(28)31)23(29)26-16-22(27-12-4-5-13-27)17-7-6-8-19(14-17)32-2/h3,6-10,14-15,22H,1,4-5,11-13,16H2,2H3,(H,26,29)/p+1/t22-/m0/s1