4-[5-(2-hydroxyethylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[5-(2-hydroxyethylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-[5-(2-hydroxyethylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid CAS Name: 4-[5-[(2-hydroxyethylamino)-oxomethyl]-2,3,3-trimethyl-1-indol-1-iumyl]-1-butanesulfonic acid IUPAC Name: 4-[5-(2-hydroxyethylcarbamoyl)-2,3,3-trimethylindol-1-ium-1-yl]butane-1-sulfonic acid Traditional Name: 4-[5-(2-hydroxyethylcarbamoyl)-2,3,3-trimethyl-indol-1-ium-1-yl]butane-1-sulfonic acid Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-13-18(2,3)15-12-14(17(22)19-8-10-21)6-7-16(15)20(13)9-4-5-11-26(23,24)25/h6-7,12,21H,4-5,8-11H2,1-3H3,(H-,19,22,23,24,25)/p+1