6-ethoxy-2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]quinolin-1-ium-3-carbonitrile

Systemtic Name: 6-ethoxy-2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]quinolin-1-ium-3-carbonitrile Openeye Name: 6-ethoxy-2-[4-(4-fluorobenzoyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile CAS Name: 6-ethoxy-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-quinolin-1-iumcarbonitrile IUPAC Name: 6-ethoxy-2-[4-(4-fluorobenzoyl)piperazin-1-yl]quinolin-1-ium-3-carbonitrile Traditional Name: 6-ethoxy-2-[4-(4-fluorobenzoyl)piperazino]quinolin-1-ium-3-carbonitrile Formula: C23H22FN4O2+ MolecularWeight: 405.444783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN4O2/c1-2-30-20-7-8-21-17(14-20)13-18(15-25)22(26-21)27-9-11-28(12-10-27)23(29)16-3-5-19(24)6-4-16/h3-8,13-14H,2,9-12H2,1H3/p+1