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

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-thienyl)prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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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=CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C24H24N2OS/c27-23(14-13-22-12-7-19-28-22)25-15-17-26(18-16-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,19,24H,15-18H2/p+1/b14-13+