tert-butyl [4-(diphenylmethyl)-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl hydrogen phosphate

Systemtic Name: tert-butyl [4-(diphenylmethyl)-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl hydrogen phosphate Openeye Name: [4-benzhydryl-1-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl tert-butyl hydrogen phosphate CAS Name: tert-butyl [4-(diphenylmethyl)-1-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]methyl hydrogen phosphate IUPAC Name: [4-benzhydryl-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]methyl tert-butyl hydrogen phosphate Traditional Name: [4-benzhydryl-1-[(E)-cinnamyl]piperazin-1-ium-1-yl]methyl tert-butyl hydrogen phosphate Formula: C31H40N2O4P+ MolecularWeight: 535.634061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OP(=O)(O)OC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OP(=O)(O)OC[N+]1(CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C31H39N2O4P/c1-31(2,3)37-38(34,35)36-26-33(23-13-16-27-14-7-4-8-15-27)24-21-32(22-25-33)30(28-17-9-5-10-18-28)29-19-11-6-12-20-29/h4-20,30H,21-26H2,1-3H3/p+1/b16-13+