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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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