(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylpiperazin-4-ium-1-yl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methyl-1-piperazin-4-iumyl)-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylpiperazin-4-ium-1-yl)-2-furyl]acrylonitrile Formula: C19H20N5O+ MolecularWeight: 334.395

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H19N5O/c1-23-8-10-24(11-9-23)18-7-6-15(25-18)12-14(13-20)19-21-16-4-2-3-5-17(16)22-19/h2-7,12H,8-11H2,1H3,(H,21,22)/p+1/b14-12+