4-methylbenzenesulfonic acid; methyl 1-[4-(dimethylamino)butyl]-3-methoxy-indole-2-carboxylate

Systemtic Name: 4-methylbenzenesulfonic acid; methyl 1-[4-(dimethylamino)butyl]-3-methoxy-indole-2-carboxylate Openeye Name: 4-methylbenzenesulfonic acid; methyl 1-[4-(dimethylamino)butyl]-3-methoxy-indole-2-carboxylate CAS Name: 1-[4-(dimethylamino)butyl]-3-methoxy-2-indolecarboxylic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; methyl 1-[4-(dimethylamino)butyl]-3-methoxyindole-2-carboxylate Traditional Name: 1-[4-(dimethylamino)butyl]-3-methoxy-indole-2-carboxylic acid methyl ester; tosylic acid Formula: C24H32N2O6S MolecularWeight: 476.58568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCCN1C2=CC=CC=C2C(=C1C(=O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCCN1C2=CC=CC=C2C(=C1C(=O)OC)OC

InChI

InChI=1S/C17H24N2O3.C7H8O3S/c1-18(2)11-7-8-12-19-14-10-6-5-9-13(14)16(21-3)15(19)17(20)22-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9-10H,7-8,11-12H2,1-4H3;2-5H,1H3,(H,8,9,10)