3-(2,3-dimethyl-4-methylsulfonyl-5-pyrrol-1-yl-pyrrol-1-yl)propyl-dimethyl-azanium

Systemtic Name: 3-(2,3-dimethyl-4-methylsulfonyl-5-pyrrol-1-yl-pyrrol-1-yl)propyl-dimethyl-azanium Openeye Name: 3-(2,3-dimethyl-4-methylsulfonyl-5-pyrrol-1-yl-pyrrol-1-yl)propyl-dimethyl-ammonium CAS Name: 3-[2,3-dimethyl-4-methylsulfonyl-5-(1-pyrrolyl)-1-pyrrolyl]propyl-dimethylammonium IUPAC Name: 3-(2,3-dimethyl-4-methylsulfonyl-5-pyrrol-1-ylpyrrol-1-yl)propyl-dimethylazanium Traditional Name: 3-(4-mesyl-2,3-dimethyl-5-pyrrol-1-yl-pyrrol-1-yl)propyl-dimethyl-ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C)N2C=CC=C2)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C)N2C=CC=C2)CCC[NH+](C)C)C

InChI

InChI=1S/C16H25N3O2S/c1-13-14(2)19(12-8-9-17(3)4)16(15(13)22(5,20)21)18-10-6-7-11-18/h6-7,10-11H,8-9,12H2,1-5H3/p+1