(3S,4S)-2-azanyl-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydropyridin-1-ium-3-carbonitrile

Systemtic Name: (3S,4S)-2-azanyl-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydropyridin-1-ium-3-carbonitrile Openeye Name: (3S,4S)-2-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydropyridin-1-ium-3-carbonitrile CAS Name: (3S,4S)-2-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydropyridin-1-ium-3-carbonitrile IUPAC Name: (3S,4S)-2-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydropyridin-1-ium-3-carbonitrile Traditional Name: (3S,4S)-2-amino-6-(4-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydropyridin-1-ium-3-carbonitrile Formula: C19H17FN3O+ MolecularWeight: 322.356183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C([NH+]=C(C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C=C([NH+]=C([C@@H]2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H16FN3O/c1-24-15-8-4-12(5-9-15)16-10-18(23-19(22)17(16)11-21)13-2-6-14(20)7-3-13/h2-10,16-17H,1H3,(H2,22,23)/p+1/t16-,17-/m1/s1