(Z)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-3-phenyl-prop-2-enenitrile

Systemtic Name: (Z)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-3-phenyl-prop-2-enenitrile Openeye Name: (Z)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-phenyl-prop-2-enenitrile CAS Name: (Z)-2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-phenyl-2-propenenitrile IUPAC Name: (Z)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-phenylprop-2-enenitrile Traditional Name: (Z)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-phenyl-acrylonitrile Formula: C27H26N3O+ MolecularWeight: 408.51484

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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=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O/c28-21-25(20-22-10-4-1-5-11-22)27(31)30-18-16-29(17-19-30)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20,26H,16-19H2/p+1/b25-20-