N-cyclopentyl-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: N-cyclopentyl-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: N-cyclopentyl-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-isoindoline-1-carboxamide CAS Name: N-cyclopentyl-2-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: N-cyclopentyl-2-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-1H-isoindole-1-carboxamide Traditional Name: N-cyclopentyl-3-keto-2-(3-morpholin-4-ium-4-ylpropyl)isoindoline-1-carboxamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2C3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC(C1)NC(=O)C2C3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C21H29N3O3/c25-20(22-16-6-1-2-7-16)19-17-8-3-4-9-18(17)21(26)24(19)11-5-10-23-12-14-27-15-13-23/h3-4,8-9,16,19H,1-2,5-7,10-15H2,(H,22,25)/p+1