4-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]butanamide

Systemtic Name: 4-(4-oxidanylidene-1H-quinazolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]butanamide Openeye Name: 4-(4-oxo-1H-quinazolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(4-oxo-1H-quinazolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]butanamide Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]butyramide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c27-21(23-15-18(19-9-6-14-29-19)26-12-3-4-13-26)11-5-10-20-24-17-8-2-1-7-16(17)22(28)25-20/h1-2,6-9,14,18H,3-5,10-13,15H2,(H,23,27)(H,24,25,28)/p+1/t18-/m1/s1