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

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]isoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]isoindoline-5-carboxamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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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=CC=C3)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-2-3-15-28-24(30)20-12-11-19(16-21(20)25(28)31)23(29)26-17-22(27-13-7-8-14-27)18-9-5-4-6-10-18/h4-6,9-12,16,22H,2-3,7-8,13-15,17H2,1H3,(H,26,29)/p+1/t22-/m1/s1