4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzonitrile Formula: C25H24N3O+ MolecularWeight: 382.47756

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)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O/c26-19-20-11-13-23(14-12-20)25(29)28-17-15-27(16-18-28)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24H,15-18H2/p+1