6-fluoranyl-4-methyl-2-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]piperidin-1-yl]quinazoline

Systemtic Name: 6-fluoranyl-4-methyl-2-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]piperidin-1-yl]quinazoline Openeye Name: 2-[4-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-piperidyl]-6-fluoro-4-methyl-quinazoline CAS Name: 6-fluoro-4-methyl-2-[4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]-1-piperidinyl]quinazoline IUPAC Name: 6-fluoro-4-methyl-2-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]piperidin-1-yl]quinazoline Traditional Name: 2-[4-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]piperidino]-6-fluoro-4-methyl-quinazoline Formula: C27H33FN5+ MolecularWeight: 446.582823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)[NH+]4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)[NH+]4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H32FN5/c1-21-25-20-23(28)9-10-26(25)30-27(29-21)33-14-11-24(12-15-33)32-18-16-31(17-19-32)13-5-8-22-6-3-2-4-7-22/h2-10,20,24H,11-19H2,1H3/p+1/b8-5+