(4-fluorophenyl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (4-fluorophenyl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (4-fluorophenyl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (4-fluorobenzyl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C21H21FN3+ MolecularWeight: 334.409943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CC=CC=C3)[NH2+]CC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CC=CC=C3)[NH2+]CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3/c22-17-11-9-15(10-12-17)13-23-19-7-4-8-20-18(19)14-24-21(25-20)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,19,23H,4,7-8,13H2/p+1/t19-/m0/s1