1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide CAS Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Formula: C20H29N3O9S MolecularWeight: 487.52396

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O2S.C6H8O7/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,8-9,15-16H,6-7,10H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)