(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-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-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-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-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C27H27N2O3+ MolecularWeight: 427.51488

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O3/c30-26(14-12-21-11-13-24-25(19-21)32-20-31-24)28-15-17-29(18-16-28)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19,27H,15-18,20H2/p+1/b14-12+