4-methylbenzenesulfonic acid; (2S)-2-methylpyrrolidine

Systemtic Name: 4-methylbenzenesulfonic acid; (2S)-2-methylpyrrolidine Openeye Name: 4-methylbenzenesulfonic acid; (2S)-2-methylpyrrolidine CAS Name: 4-methylbenzenesulfonic acid; (2S)-2-methylpyrrolidine IUPAC Name: 4-methylbenzenesulfonic acid; (2S)-2-methylpyrrolidine Traditional Name: (2S)-2-methylpyrrolidine; tosylic acid Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[C@H]1CCCN1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C7H8O3S.C5H11N/c1-6-2-4-7(5-3-6)11(8,9)10;1-5-3-2-4-6-5/h2-5H,1H3,(H,8,9,10);5-6H,2-4H2,1H3/t;5-/m.0/s1