1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1,3-dioxoisoindolin-2-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(1,3-dioxo-2-isoindolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-(phthalimidomethyl)piperidin-1-ium-4-carboxamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O3/c25-19(22-16-6-2-1-3-7-16)15-10-12-23(13-11-15)14-24-20(26)17-8-4-5-9-18(17)21(24)27/h1-9,15H,10-14H2,(H,22,25)/p+1