3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

Systemtic Name: 3-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Openeye Name: 3-[(1,3-dioxoisoindolin-2-yl)methyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide CAS Name: 3-[(1,3-dioxo-2-isoindolyl)methyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Traditional Name: 3-(phthalimidomethyl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O)[NH+]5CCCCC5

InChI

InChI=1S/C28H33N3O3/c32-25(29-20-28(14-5-1-6-15-28)30-16-7-2-8-17-30)22-11-9-10-21(18-22)19-31-26(33)23-12-3-4-13-24(23)27(31)34/h3-4,9-13,18H,1-2,5-8,14-17,19-20H2,(H,29,32)/p+1