4-chloranyl-1-ethyl-3-(3-ethylphenyl)pyridin-1-ium; methanesulfonate

Systemtic Name: 4-chloranyl-1-ethyl-3-(3-ethylphenyl)pyridin-1-ium; methanesulfonate Openeye Name: 4-chloro-1-ethyl-3-(3-ethylphenyl)pyridin-1-ium; methanesulfonate CAS Name: 4-chloro-1-ethyl-3-(3-ethylphenyl)pyridin-1-ium; methanesulfonate IUPAC Name: 4-chloro-1-ethyl-3-(3-ethylphenyl)pyridin-1-ium; methanesulfonate Traditional Name: 4-chloro-1-ethyl-3-(3-ethylphenyl)pyridin-1-ium mesylate Formula: C16H20ClNO3S MolecularWeight: 341.8529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=C(C=C[N+](=C2)CC)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

CCC1=CC=CC(=C1)C2=C(C=C[N+](=C2)CC)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H17ClN.CH4O3S/c1-3-12-6-5-7-13(10-12)14-11-17(4-2)9-8-15(14)16;1-5(2,3)4/h5-11H,3-4H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1