2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]guanidine

Systemtic Name: 2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]guanidine Openeye Name: 2-[[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]guanidine CAS Name: 2-[[3-[4-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazol-1-iumylidene]methylamino]guanidine IUPAC Name: 2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-1-ium-4-ylidene]methylamino]guanidine Traditional Name: 2-[[3-(4-morpholinosulfonylphenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methylamino]guanidine Formula: C21H24N7O3S+ MolecularWeight: 454.52536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=N[N+](=CC3=CNN=C(N)N)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=N[N+](=CC3=CNN=C(N)N)C4=CC=CC=C4

InChI

InChI=1S/C21H23N7O3S/c22-21(23)25-24-14-17-15-28(18-4-2-1-3-5-18)26-20(17)16-6-8-19(9-7-16)32(29,30)27-10-12-31-13-11-27/h1-9,14-15H,10-13H2,(H4,22,23,25)/p+1