[2-[(1E)-buta-1,3-dienyl]-3,3-dimethyl-indol-1-ium-1-yl]methanesulfonate

Systemtic Name: [2-[(1E)-buta-1,3-dienyl]-3,3-dimethyl-indol-1-ium-1-yl]methanesulfonate Openeye Name: [2-[(1E)-buta-1,3-dienyl]-3,3-dimethyl-indol-1-ium-1-yl]methanesulfonate CAS Name: [2-[(1E)-buta-1,3-dienyl]-3,3-dimethyl-1-indol-1-iumyl]methanesulfonate IUPAC Name: [2-[(1E)-buta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]methanesulfonate Traditional Name: [2-[(1E)-buta-1,3-dienyl]-3,3-dimethyl-indol-1-ium-1-yl]methanesulfonate Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=CC=C)CS(=O)(=O)[O-])C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C)CS(=O)(=O)[O-])C

InChI

InChI=1S/C15H17NO3S/c1-4-5-10-14-15(2,3)12-8-6-7-9-13(12)16(14)11-20(17,18)19/h4-10H,1,11H2,2-3H3/b10-5+