2-(1H-benzimidazol-3-ium-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile Openeye Name: 2-(1H-benzimidazol-3-ium-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile CAS Name: 2-(1H-benzimidazol-3-ium-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-propenenitrile IUPAC Name: 2-(1H-benzimidazol-3-ium-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enenitrile Traditional Name: 2-(1H-benzimidazol-3-ium-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acrylonitrile Formula: C18H15N4O2+ MolecularWeight: 319.3373

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC=C(C#N)C3=[NH+]C4=CC=CC=C4N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC=C(C#N)C3=[NH+]C4=CC=CC=C4N3

InChI

InChI=1S/C18H14N4O2/c19-10-12(18-21-14-3-1-2-4-15(14)22-18)11-20-13-5-6-16-17(9-13)24-8-7-23-16/h1-6,9,11,20H,7-8H2,(H,21,22)/p+1