(E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylonitrile Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5/c1-25-10-12-26(13-11-25)20-9-5-2-6-16(20)14-17(15-22)21-23-18-7-3-4-8-19(18)24-21/h2-9,14H,10-13H2,1H3,(H,23,24)/p+1/b17-14+