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

Systemtic Name: 2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Traditional Name: 2-[[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=N[N+](=CC2=CNN=C(N)N)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=N[N+](=CC2=CNN=C(N)N)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N6O2/c1-27-17-9-8-15(10-18(17)28-2)19-16(11-23-24-20(21)22)13-26(25-19)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H4,21,22,24)/p+1