N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]butyramide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H27N5O2S/c1-16-8-11-26(12-9-16)13-17-14-30-22(24-17)25-20(28)7-4-10-27-15-23-19-6-3-2-5-18(19)21(27)29/h2-3,5-6,14-16H,4,7-13H2,1H3,(H,24,25,28)/p+1