1-benzofuran-2-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: benzofuran-2-ylmethyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: 2-benzofuranylmethyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: benzofuran-2-ylmethyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C22H21N4O+ MolecularWeight: 357.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N4O/c1-2-9-21-15(5-1)11-17(27-21)13-24-19-7-3-8-20-18(19)14-25-22(26-20)16-6-4-10-23-12-16/h1-2,4-6,9-12,14,19,24H,3,7-8,13H2/p+1/t19-/m0/s1