2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]ethanamide Openeye Name: 2-isoindolin-2-ium-2-yl-N-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide CAS Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide IUPAC Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)-N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide Traditional Name: 2-isoindolin-2-ium-2-yl-N-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)NC(=O)C[NH+]4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)NC(=O)C[NH+]4CC5=CC=CC=C5C4

InChI

InChI=1S/C23H23N5O/c29-22(15-28-13-17-5-1-2-6-18(17)14-28)26-20-8-3-9-21-19(20)12-25-23(27-21)16-7-4-10-24-11-16/h1-2,4-7,10-12,20H,3,8-9,13-15H2,(H,26,29)/p+1/t20-/m0/s1