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

Systemtic Name: 4-[4-[(2-oxidanylidene-3-propyl-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(2-oxo-3-propyl-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2-oxo-3-propyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(2-oxo-3-propylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(2-keto-3-propyl-benzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C22H26N5O3S+ MolecularWeight: 440.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H25N5O3S/c1-2-11-26-20-5-3-4-6-21(20)27(22(26)28)17-24-12-14-25(15-13-24)31(29,30)19-9-7-18(16-23)8-10-19/h3-10H,2,11-15,17H2,1H3/p+1