4-methylbenzenesulfonic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

Systemtic Name: 4-methylbenzenesulfonic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine Openeye Name: 4-methylbenzenesulfonic acid; N-prop-2-ynylindan-1-amine CAS Name: 4-methylbenzenesulfonic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine IUPAC Name: 4-methylbenzenesulfonic acid; N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine Traditional Name: indan-1-yl(propargyl)amine; tosylic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C#CCNC1CCC2=CC=CC=C12

InChI

InChI=1S/C12H13N.C7H8O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h1,3-6,12-13H,7-9H2;2-5H,1H3,(H,8,9,10)