4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate

Systemtic Name: 4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate Openeye Name: 4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate CAS Name: 4-(1,1,2-trimethyl-3-benzo[e]indol-3-iumyl)-1-butanesulfonate IUPAC Name: 4-(1,1,2-trimethylbenzo[e]indol-3-ium-3-yl)butane-1-sulfonate Traditional Name: 4-(1,1,2-trimethylbenz[e]indol-3-ium-3-yl)butane-1-sulfonate Formula: C19H23NO3S MolecularWeight: 345.45582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H23NO3S/c1-14-19(2,3)18-16-9-5-4-8-15(16)10-11-17(18)20(14)12-6-7-13-24(21,22)23/h4-5,8-11H,6-7,12-13H2,1-3H3