2-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine

Systemtic Name: 2-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-1-ium-4-ylidene]methylamino]guanidine CAS Name: 2-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-1-ium-4-ylidene]methylamino]guanidine Traditional Name: 2-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-1-ium-4-ylidene]methylamino]guanidine Formula: C20H19N6O+ MolecularWeight: 359.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC(=CNN=C(N)N)C(=N2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC(=CNN=C(N)N)C(=N2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N6O/c21-20(22)24-23-11-16-13-26(12-14-6-2-1-3-7-14)25-19(16)18-10-15-8-4-5-9-17(15)27-18/h1-11,13H,12H2,(H4,21,22,24)/p+1