4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]butanamide

Systemtic Name: 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 4-(8-methyl-4-oxo-quinazolin-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]butanamide Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]butyramide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCCN2C=NC3=C(C2=O)C=CC=C3C)C4=CC=CS4

InChI

InChI=1S/C25H32N4O2S/c1-18-10-13-28(14-11-18)21(22-8-5-15-32-22)16-26-23(30)9-4-12-29-17-27-24-19(2)6-3-7-20(24)25(29)31/h3,5-8,15,17-18,21H,4,9-14,16H2,1-2H3,(H,26,30)/p+1/t21-/m1/s1