cyclohepta[b]pyrrol-1-ium-1,2-diamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: cyclohepta[b]pyrrol-1-ium-1,2-diamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: cyclohepta[b]pyrrol-1-ium-1,2-diamine; 2,4,6-trimethylbenzenesulfonate CAS Name: cyclohepta[b]pyrrol-1-ium-1,2-diamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: cyclohepta[b]pyrrol-1-ium-1,2-diamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (1-aminocyclohepta[b]pyrrol-1-ium-2-yl)amine; 2,4,6-trimethylbesylate Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N3.C9H12O3S/c10-9-6-7-4-2-1-3-5-8(7)12(9)11;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-6,10H,11H2;4-5H,1-3H3,(H,10,11,12)