(Z)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (Z)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-en-1-one Openeye Name: (Z)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-en-1-one CAS Name: (Z)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(4-fluorophenyl)-2-thiophen-2-yl-2-propen-1-one IUPAC Name: (Z)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-en-1-one Traditional Name: (Z)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-en-1-one Formula: C30H28FN2OS+ MolecularWeight: 483.619523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C(=C/C4=CC=C(C=C4)F)/C5=CC=CS5

InChI

InChI=1S/C30H27FN2OS/c31-26-15-13-23(14-16-26)22-27(28-12-7-21-35-28)30(34)33-19-17-32(18-20-33)29(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-16,21-22,29H,17-20H2/p+1/b27-22+