N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-methyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1,3-diketo-2-methyl-isoindoline-5-carboxamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC[C@@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C21H23N3O4/c1-23-20(26)15-8-7-14(12-16(15)21(23)27)19(25)22-13-17(18-6-5-11-28-18)24-9-3-2-4-10-24/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,22,25)/p+1/t17-/m0/s1