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

Systemtic Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]propionamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S/c26-20(8-7-19-23-16-5-2-1-4-15(16)21(27)24-19)22-14-17(18-6-3-13-29-18)25-9-11-28-12-10-25/h1-6,13,17H,7-12,14H2,(H,22,26)(H,23,24,27)/p+1/t17-/m0/s1