N-(cyclohexylmethyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(cyclohexylmethyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(cyclohexylmethyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(cyclohexylmethyl)-2-[3-(4-morpholin-4-iumyl)propyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(cyclohexylmethyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(cyclohexylmethyl)-1,3-diketo-2-(3-morpholin-4-ium-4-ylpropyl)isoindoline-5-carboxamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H31N3O4/c27-21(24-16-17-5-2-1-3-6-17)18-7-8-19-20(15-18)23(29)26(22(19)28)10-4-9-25-11-13-30-14-12-25/h7-8,15,17H,1-6,9-14,16H2,(H,24,27)/p+1