3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzonitrile CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonylbenzonitrile Formula: C24H24N3O2S+ MolecularWeight: 418.53126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S/c25-19-20-8-7-13-23(18-20)30(28,29)27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,24H,14-17H2/p+1