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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c25-19(22-16-8-2-1-3-9-16)15-7-6-12-23(13-15)14-24-20(26)17-10-4-5-11-18(17)21(24)27/h1-5,8-11,15H,6-7,12-14H2,(H,22,25)/p+1/t15-/m0/s1