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

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzoxazol-2-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzoxazol-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzoxazol-2-yl)prop-2-en-1-one Formula: C27H26N3O2+ MolecularWeight: 424.51424

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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=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O2/c31-26(16-15-25-28-23-13-7-8-14-24(23)32-25)29-17-19-30(20-18-29)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-16,27H,17-20H2/p+1/b16-15+