N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(o-tolyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(2-methylphenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-1,3-diketo-2-(o-tolyl)isoindoline-5-carboxamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4CC[NH+](CC4)CC(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4CC[NH+](CC4)CC(=O)N

InChI

InChI=1S/C23H24N4O4/c1-14-4-2-3-5-19(14)27-22(30)17-7-6-15(12-18(17)23(27)31)21(29)25-16-8-10-26(11-9-16)13-20(24)28/h2-7,12,16H,8-11,13H2,1H3,(H2,24,28)(H,25,29)/p+1