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

Systemtic Name: N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)NCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)NCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4O2S/c23-17-11-4-1-2-5-12(11)21-16(22-17)10-20-18(24)15-8-7-14(25-15)13-6-3-9-19-13/h1-2,4-5,7-8,13,19H,3,6,9-10H2,(H,20,24)(H,21,22,23)/p+1/t13-/m1/s1