(1S)-1-(4-chloranylnaphthalen-1-yl)-2-(dimethylamino)ethanol; 4-methylbenzenesulfonic acid

Systemtic Name: (1S)-1-(4-chloranylnaphthalen-1-yl)-2-(dimethylamino)ethanol; 4-methylbenzenesulfonic acid Openeye Name: (1S)-1-(4-chloro-1-naphthyl)-2-(dimethylamino)ethanol; 4-methylbenzenesulfonic acid CAS Name: (1S)-1-(4-chloro-1-naphthalenyl)-2-(dimethylamino)ethanol; 4-methylbenzenesulfonic acid IUPAC Name: (1S)-1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol; 4-methylbenzenesulfonic acid Traditional Name: (1S)-1-(4-chloro-1-naphthyl)-2-(dimethylamino)ethanol; tosylic acid Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC(C1=CC=C(C2=CC=CC=C21)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C[C@H](C1=CC=C(C2=CC=CC=C21)Cl)O

InChI

InChI=1S/C14H16ClNO.C7H8O3S/c1-16(2)9-14(17)12-7-8-13(15)11-6-4-3-5-10(11)12;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,14,17H,9H2,1-2H3;2-5H,1H3,(H,8,9,10)/t14-;/m1./s1