4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-(2,3,3-trimethyl-1-indol-1-iumyl)-1-butanesulfonate IUPAC Name: 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c1-12-15(2,3)13-8-4-5-9-14(13)16(12)10-6-7-11-20(17,18)19/h4-5,8-9H,6-7,10-11H2,1-3H3