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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=N[N+](=CC2=CNN=C(N)N)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=N[N+](=CC2=CNN=C(N)N)CC3=CC=CC=C3

InChI

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