6-chloranyl-4-phenyl-2-pyrrolidin-1-yl-3,4-dihydroquinazolin-3-ium iodide

Systemtic Name: 6-chloranyl-4-phenyl-2-pyrrolidin-1-yl-3,4-dihydroquinazolin-3-ium iodide Openeye Name: 6-chloro-4-phenyl-2-pyrrolidin-1-yl-3,4-dihydroquinazolin-3-ium iodide CAS Name: 6-chloro-4-phenyl-2-(1-pyrrolidinyl)-3,4-dihydroquinazolin-3-ium iodide IUPAC Name: 6-chloro-4-phenyl-2-pyrrolidin-1-yl-3,4-dihydroquinazolin-3-ium iodide Traditional Name: 6-chloro-4-phenyl-2-pyrrolidino-3,4-dihydroquinazolin-3-ium iodide Formula: C18H19ClIN3 MolecularWeight: 439.72103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(C=C(C=C3)Cl)C([NH2+]2)C4=CC=CC=C4.[I-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(C=C(C=C3)Cl)C([NH2+]2)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C18H18ClN3.HI/c19-14-8-9-16-15(12-14)17(13-6-2-1-3-7-13)21-18(20-16)22-10-4-5-11-22;/h1-3,6-9,12,17H,4-5,10-11H2,(H,20,21);1H