2-methyl-3-prop-2-ynyl-benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2-methyl-3-prop-2-ynyl-benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-methyl-3-prop-2-ynyl-benzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-methyl-3-prop-2-ynyl-1-benzimidazol-3-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-methyl-3-prop-2-ynylbenzimidazol-3-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2-methyl-3-propargyl-benzimidazol-3-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C2=CC=CC=C2N1N)CC#C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[N+](C2=CC=CC=C2N1N)CC#C

InChI

InChI=1S/C11H12N3.C9H12O3S/c1-3-8-13-9(2)14(12)11-7-5-4-6-10(11)13;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1,4-7H,8,12H2,2H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1