2-(aminomethyl)-4-phenyl-butanoate; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(aminomethyl)-4-phenyl-butanoate; 4-methylbenzenesulfonic acid Openeye Name: 2-(aminomethyl)-4-phenyl-butanoate; 4-methylbenzenesulfonic acid CAS Name: 2-(aminomethyl)-4-phenylbutanoate; 4-methylbenzenesulfonic acid IUPAC Name: 2-(aminomethyl)-4-phenylbutanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-(aminomethyl)-4-phenyl-butyrate; tosylic acid Formula: C18H22NO5S- MolecularWeight: 364.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(CN)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CCC(CN)C(=O)[O-]

InChI

InChI=1S/C11H15NO2.C7H8O3S/c12-8-10(11(13)14)7-6-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10H,6-8,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)/p-1