4-methylbenzenesulfonic acid; 4-(3-pyrrolidin-1-ylpropoxy)aniline

Systemtic Name: 4-methylbenzenesulfonic acid; 4-(3-pyrrolidin-1-ylpropoxy)aniline Openeye Name: 4-methylbenzenesulfonic acid; 4-(3-pyrrolidin-1-ylpropoxy)aniline CAS Name: 4-methylbenzenesulfonic acid; 4-[3-(1-pyrrolidinyl)propoxy]aniline IUPAC Name: 4-methylbenzenesulfonic acid; 4-(3-pyrrolidin-1-ylpropoxy)aniline Traditional Name: [4-(3-pyrrolidinopropoxy)phenyl]amine; tosylic acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)CCCOC2=CC=C(C=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCN(C1)CCCOC2=CC=C(C=C2)N

InChI

InChI=1S/C13H20N2O.C7H8O3S/c14-12-4-6-13(7-5-12)16-11-3-10-15-8-1-2-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3,8-11,14H2;2-5H,1H3,(H,8,9,10)