2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine

Systemtic Name: 2-[[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[(1-benzyl-5-chloro-3-methyl-pyrazol-1-ium-4-ylidene)methylamino]guanidine CAS Name: 2-[[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[(1-benzyl-5-chloro-3-methylpyrazol-1-ium-4-ylidene)methylamino]guanidine Traditional Name: 2-[(1-benzyl-5-chloro-3-methyl-pyrazol-1-ium-4-ylidene)methylamino]guanidine Formula: C13H16ClN6+ MolecularWeight: 291.75934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN6/c1-9-11(7-17-18-13(15)16)12(14)20(19-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H4,15,16,18)/p+1