2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-(1-propylpiperidin-1-ium-4-yl)isoindole-5-carboxamide

Systemtic Name: 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)-N-(1-propylpiperidin-1-ium-4-yl)isoindole-5-carboxamide Openeye Name: 2-(3-methoxypropyl)-1,3-dioxo-N-(1-propylpiperidin-1-ium-4-yl)isoindoline-5-carboxamide CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-N-(1-propyl-4-piperidin-1-iumyl)-5-isoindolecarboxamide IUPAC Name: 2-(3-methoxypropyl)-1,3-dioxo-N-(1-propylpiperidin-1-ium-4-yl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(3-methoxypropyl)-N-(1-propylpiperidin-1-ium-4-yl)isoindoline-5-carboxamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

InChI

InChI=1S/C21H29N3O4/c1-3-9-23-11-7-16(8-12-23)22-19(25)15-5-6-17-18(14-15)21(27)24(20(17)26)10-4-13-28-2/h5-6,14,16H,3-4,7-13H2,1-2H3,(H,22,25)/p+1