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

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isoindoline-5-carboxamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC[C@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O3S/c1-2-3-12-26-22(28)17-9-8-16(14-18(17)23(26)29)21(27)24-15-19(20-7-6-13-30-20)25-10-4-5-11-25/h6-9,13-14,19H,2-5,10-12,15H2,1H3,(H,24,27)/p+1/t19-/m1/s1