9-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: 9-oxidanylidene-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: 9-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: 9-oxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: 9-oxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C5=CC=CS5

InChI

InChI=1S/C22H24N4O2S/c27-21(23-14-18(19-5-4-12-29-19)25-9-1-2-10-25)15-7-8-16-17(13-15)24-20-6-3-11-26(20)22(16)28/h4-5,7-8,12-13,18H,1-3,6,9-11,14H2,(H,23,27)/p+1/t18-/m0/s1