2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine

Systemtic Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[[1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-1-ium-4-ylidene]methylamino]guanidine CAS Name: 2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(phenylmethyl)-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[[1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Traditional Name: 2-[[1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Formula: C21H23N6O2+ MolecularWeight: 391.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=N[N+](=CC3=CNN=C(N)N)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=N[N+](=CC3=CNN=C(N)N)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C21H22N6O2/c22-21(23)25-24-12-17-14-27(13-15-5-2-1-3-6-15)26-20(17)16-7-8-18-19(11-16)29-10-4-9-28-18/h1-3,5-8,11-12,14H,4,9-10,13H2,(H4,22,23,25)/p+1