4-[(E)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-prop-1-enyl]benzonitrile Formula: C27H26N3O+ MolecularWeight: 408.51484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O/c28-21-23-13-11-22(12-14-23)15-16-26(31)29-17-19-30(20-18-29)27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-16,27H,17-20H2/p+1/b16-15+