4-(5-methoxy-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(5-methoxy-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(5-methoxy-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-(5-methoxy-2,3,3-trimethyl-1-indol-1-iumyl)-1-butanesulfonate IUPAC Name: 4-(5-methoxy-2,3,3-trimethylindol-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(5-methoxy-2,3,3-trimethyl-indol-1-ium-1-yl)butane-1-sulfonate Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)OC)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)OC)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H23NO4S/c1-12-16(2,3)14-11-13(21-4)7-8-15(14)17(12)9-5-6-10-22(18,19)20/h7-8,11H,5-6,9-10H2,1-4H3