cyclohepta[d]imidazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: cyclohepta[d]imidazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: cyclohepta[d]imidazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate CAS Name: cyclohepta[d]imidazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: cyclohepta[d]imidazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2-aminocyclohept[d]imidazol-3-ium-3-yl)amine; 2,4,6-trimethylbesylate Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C2C(=[N+](C(=N2)N)N)C=C1

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C2C(=[N+](C(=N2)N)N)C=C1

InChI

InChI=1S/C9H12O3S.C8H8N4/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;9-8-11-6-4-2-1-3-5-7(6)12(8)10/h4-5H,1-3H3,(H,10,11,12);1-5,9H,10H2