4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-1-ium-4-ylmethyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(pyridin-1-ium-4-ylmethyl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(pyridin-1-ium-4-ylmethyl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(4-pyridin-1-iumylmethyl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-1-ium-4-ylmethyl)butanamide Traditional Name: 4-phthalimido-N-(pyridin-1-ium-4-ylmethyl)butyramide Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C18H17N3O3/c22-16(20-12-13-7-9-19-10-8-13)6-3-11-21-17(23)14-4-1-2-5-15(14)18(21)24/h1-2,4-5,7-10H,3,6,11-12H2,(H,20,22)/p+1