3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(4-oxo-1H-quinazolin-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c26-20(10-9-19-23-16-7-2-1-6-15(16)21(27)24-19)22-14-17(18-8-5-13-28-18)25-11-3-4-12-25/h1-2,5-8,13,17H,3-4,9-12,14H2,(H,22,26)(H,23,24,27)/p+1/t17-/m0/s1