2,3,3-trimethyl-1-(phenylmethyl)indol-1-ium-5-sulfonate

Systemtic Name: 2,3,3-trimethyl-1-(phenylmethyl)indol-1-ium-5-sulfonate Openeye Name: 1-benzyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate CAS Name: 2,3,3-trimethyl-1-(phenylmethyl)-5-indol-1-iumsulfonate IUPAC Name: 1-benzyl-2,3,3-trimethylindol-1-ium-5-sulfonate Traditional Name: 1-benzyl-2,3,3-trimethyl-indol-1-ium-5-sulfonate Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S/c1-13-18(2,3)16-11-15(23(20,21)22)9-10-17(16)19(13)12-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3