4-[4-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-indolin-1-yl-3-oxo-propyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-indolin-1-yl-3-keto-propyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CC[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N4O3S/c23-17-18-5-7-20(8-6-18)30(28,29)25-15-13-24(14-16-25)11-10-22(27)26-12-9-19-3-1-2-4-21(19)26/h1-8H,9-16H2/p+1