4-chloranyl-1-ethyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-1-ethyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-chloro-1-ethyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-1-ethylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-1-ethylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-chloro-1-ethyl-quinolin-1-ium tosylate Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H11ClN.C7H8O3S/c1-2-13-8-7-10(12)9-5-3-4-6-11(9)13;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1