2-[4-[(2-phenyl-1H-indol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-phenyl-1H-indol-3-yl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-phenyl-1H-indol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C26H25N4O2S+ MolecularWeight: 457.5673

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H24N4O2S/c27-18-21-10-4-7-13-25(21)33(31,32)30-16-14-29(15-17-30)19-23-22-11-5-6-12-24(22)28-26(23)20-8-2-1-3-9-20/h1-13,28H,14-17,19H2/p+1