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

Systemtic Name: (E)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-3-thiophen-2-yl-prop-2-enenitrile Openeye Name: (E)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-(2-thienyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-3-thiophen-2-yl-2-propenenitrile IUPAC Name: (E)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-thiophen-2-ylprop-2-enenitrile Traditional Name: (E)-2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-(2-thienyl)acrylonitrile Formula: C25H24N3OS+ MolecularWeight: 414.54256

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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=CS4)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C(=C/C4=CC=CS4)/C#N

InChI

InChI=1S/C25H23N3OS/c26-19-22(18-23-12-7-17-30-23)25(29)28-15-13-27(14-16-28)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17-18,24H,13-16H2/p+1/b22-18+