2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-methyl-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-2-methyl-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]isoindoline-5-carboxamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C)C4=CC=CS4

InChI

InChI=1S/C22H25N3O3S/c1-14-7-9-25(10-8-14)18(19-4-3-11-29-19)13-23-20(26)15-5-6-16-17(12-15)22(28)24(2)21(16)27/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1