pyrrolo[1,2-a]pyrazin-5-ium-2-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: pyrrolo[1,2-a]pyrazin-5-ium-2-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: pyrrolo[1,2-a]pyrazin-5-ium-2-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-pyrrolo[1,2-a]pyrazin-5-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: pyrrolo[1,2-a]pyrazin-5-ium-2-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: pyrrolo[1,2-a]pyrazin-5-ium-2-ylamine; 2,4,6-trimethylbesylate Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC2=CN(C=C[N+]2=C1)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC2=CN(C=C[N+]2=C1)N

InChI

InChI=1S/C9H12O3S.C7H8N3/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;8-10-5-4-9-3-1-2-7(9)6-10/h4-5H,1-3H3,(H,10,11,12);1-6H,8H2/q;+1/p-1