(E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]but-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)but-2-en-1-one CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-buten-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)but-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)but-2-en-1-one Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c1-2-9-20(24)22-14-16-23(17-15-22)21(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h2-13,21H,14-17H2,1H3/p+1/b9-2+