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

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]isoindole-5-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-5-isoindolecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-butyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-2-3-12-27-23(29)20-10-9-18(14-21(20)24(27)30)22(28)25-19-11-13-26(16-19)15-17-7-5-4-6-8-17/h4-10,14,19H,2-3,11-13,15-16H2,1H3,(H,25,28)/p+1/t19-/m0/s1