(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide

Systemtic Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Openeye Name: (2R)-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide CAS Name: (2R)-2-[(2-methyl-4-quinazolinyl)thio]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide IUPAC Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)propanamide Traditional Name: (2R)-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)-2-[(2-methylquinazolin-4-yl)thio]propionamide Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)NC3=[N+](NC=C3)C(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C)C(=O)NC3=[N+](NC=C3)C(C)C

InChI

InChI=1S/C18H21N5OS/c1-11(2)23-16(9-10-19-23)22-17(24)12(3)25-18-14-7-5-6-8-15(14)20-13(4)21-18/h5-12H,1-4H3,(H,19,22,24)/p+1/t12-/m1/s1