2-[4-[(3-methyl-2-oxidanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-methyl-2-oxidanylidene-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-methyl-2-oxo-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-methyl-2-oxo-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-keto-3-methyl-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C20H22N5O3S+ MolecularWeight: 412.48538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N5O3S/c1-22-17-7-3-4-8-18(17)25(20(22)26)15-23-10-12-24(13-11-23)29(27,28)19-9-5-2-6-16(19)14-21/h2-9H,10-13,15H2,1H3/p+1