(3-fluoranyl-4-methoxy-phenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C21H22FN4O+ MolecularWeight: 365.423983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCCC3=NC(=NC=C23)C4=CN=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CN=CC=C4)F

InChI

InChI=1S/C21H21FN4O/c1-27-20-8-7-14(10-17(20)22)11-24-18-5-2-6-19-16(18)13-25-21(26-19)15-4-3-9-23-12-15/h3-4,7-10,12-13,18,24H,2,5-6,11H2,1H3/p+1/t18-/m0/s1