N-[2-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-(4-oxo-1H-quinazolin-2-yl)ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[2-(4-oxo-1H-quinazolin-2-yl)ethyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(4-oxo-1H-quinazolin-2-yl)ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-(4-keto-1H-quinazolin-2-yl)ethyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H20N4O2S/c24-18-12-4-1-2-5-13(12)22-17(23-18)9-11-21-19(25)16-8-7-15(26-16)14-6-3-10-20-14/h1-2,4-5,7-8,14,20H,3,6,9-11H2,(H,21,25)(H,22,23,24)/p+1/t14-/m1/s1