2-(azepan-1-yl)-6-(4-fluorophenyl)-4-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-(azepan-1-yl)-6-(4-fluorophenyl)-4-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-(azepan-1-yl)-6-(4-fluorophenyl)-4-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-(1-azepanyl)-6-(4-fluorophenyl)-4-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(azepan-1-yl)-6-(4-fluorophenyl)-4-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-(azepan-1-yl)-6-(4-fluorophenyl)-4-phenyl-pyridin-1-ium-3-carbonitrile Formula: C24H23FN3+ MolecularWeight: 372.457923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=CC(=[NH+]2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=CC(=[NH+]2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H22FN3/c25-20-12-10-19(11-13-20)23-16-21(18-8-4-3-5-9-18)22(17-26)24(27-23)28-14-6-1-2-7-15-28/h3-5,8-13,16H,1-2,6-7,14-15H2/p+1