2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-[4-(methoxymethyl)piperidin-4-yl]-phenyl-propanoyl-azanium

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-[4-(methoxymethyl)piperidin-4-yl]-phenyl-propanoyl-azanium Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl-[4-(methoxymethyl)-4-piperidyl]-phenyl-propanoyl-ammonium CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-[4-(methoxymethyl)-4-piperidinyl]-(1-oxopropyl)-phenylammonium IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl-[4-(methoxymethyl)piperidin-4-yl]-phenyl-propanoylazanium Traditional Name: [4-(methoxymethyl)-4-piperidyl]-phenyl-(2-phthalimidoethyl)-propionyl-ammonium Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](CCN1C(=O)C2=CC=CC=C2C1=O)(C3=CC=CC=C3)C4(CCNCC4)COC

Isomeric SMILES

CCC(=O)[N+](CCN1C(=O)C2=CC=CC=C2C1=O)(C3=CC=CC=C3)C4(CCNCC4)COC

InChI

InChI=1S/C26H32N3O4/c1-3-23(30)29(20-9-5-4-6-10-20,26(19-33-2)13-15-27-16-14-26)18-17-28-24(31)21-11-7-8-12-22(21)25(28)32/h4-12,27H,3,13-19H2,1-2H3/q+1