3-[ethyl-(phenylmethyl)amino]propan-1-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 3-[ethyl-(phenylmethyl)amino]propan-1-ol; 4-methylbenzenesulfonic acid Openeye Name: 3-[benzyl(ethyl)amino]propan-1-ol; 4-methylbenzenesulfonic acid CAS Name: 3-[ethyl-(phenylmethyl)amino]-1-propanol; 4-methylbenzenesulfonic acid IUPAC Name: 3-[benzyl(ethyl)amino]propan-1-ol; 4-methylbenzenesulfonic acid Traditional Name: 3-[benzyl(ethyl)amino]propan-1-ol; tosylic acid Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCO)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CCCO)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H19NO.C7H8O3S/c1-2-13(9-6-10-14)11-12-7-4-3-5-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8,14H,2,6,9-11H2,1H3;2-5H,1H3,(H,8,9,10)