2-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine

Systemtic Name: 2-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine CAS Name: 2-[[3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Traditional Name: 2-[[1-benzyl-3-(3,4-dimethylphenyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Formula: C20H23N6+ MolecularWeight: 347.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[N+](=CC2=CNN=C(N)N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[N+](=CC2=CNN=C(N)N)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N6/c1-14-8-9-17(10-15(14)2)19-18(11-23-24-20(21)22)13-26(25-19)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H4,21,22,24)/p+1