N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-1,3-diketo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]isoindoline-5-carboxamide Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c1-2-10-27-23(29)19-9-8-18(15-20(19)24(27)30)22(28)25-21(17-6-4-3-5-7-17)16-26-11-13-31-14-12-26/h2-9,15,21H,1,10-14,16H2,(H,25,28)/p+1/t21-/m1/s1