2-[4-(3-azanyl-1H-[1]benzofuro[2,3-c]pyrrol-2-ium-2-yl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(3-azanyl-1H-[1]benzofuro[2,3-c]pyrrol-2-ium-2-yl)phenyl]ethanenitrile Openeye Name: 2-[4-(3-amino-1H-benzofuro[2,3-c]pyrrol-2-ium-2-yl)phenyl]acetonitrile CAS Name: 2-[4-(3-amino-1H-benzofuro[2,3-c]pyrrol-2-ium-2-yl)phenyl]acetonitrile IUPAC Name: 2-[4-(3-amino-1H-[1]benzofuro[2,3-c]pyrrol-2-ium-2-yl)phenyl]acetonitrile Traditional Name: 2-[4-(3-amino-1H-benzofuro[2,3-c]pyrrol-2-ium-2-yl)phenyl]acetonitrile Formula: C18H14N3O+ MolecularWeight: 288.32326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=[N+]1C3=CC=C(C=C3)CC#N)N)OC4=CC=CC=C24

Isomeric SMILES

C1C2=C(C(=[N+]1C3=CC=C(C=C3)CC#N)N)OC4=CC=CC=C24

InChI

InChI=1S/C18H13N3O/c19-10-9-12-5-7-13(8-6-12)21-11-15-14-3-1-2-4-16(14)22-17(15)18(21)20/h1-8,20H,9,11H2/p+1