(2S)-N-ethyl-2-[[3-(4-methylpyridin-1-ium-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[[3-(4-methylpyridin-1-ium-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: (2S)-N-ethyl-2-[[3-(4-methylpyridin-1-ium-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-phenyl-propanamide CAS Name: (2S)-N-ethyl-2-[[3-(4-methyl-2-pyridin-1-iumyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-N-phenylpropanamide IUPAC Name: (2S)-N-ethyl-2-[[3-(4-methylpyridin-1-ium-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-2-[[4-keto-3-(4-methylpyridin-1-ium-2-yl)-1H-quinazolin-3-ium-2-yl]thio]-N-phenyl-propionamide Formula: C25H26N4O2S+2 MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=[N+](C(=O)C3=CC=CC=C3N2)C4=[NH+]C=CC(=C4)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=[N+](C(=O)C3=CC=CC=C3N2)C4=[NH+]C=CC(=C4)C

InChI

InChI=1S/C25H24N4O2S/c1-4-28(19-10-6-5-7-11-19)23(30)18(3)32-25-27-21-13-9-8-12-20(21)24(31)29(25)22-16-17(2)14-15-26-22/h5-16,18H,4H2,1-3H3/p+2/t18-/m0/s1