ethanesulfonate; 3-(3-ethoxyphenyl)-1-ethyl-N,N-dimethyl-5-phenoxy-pyridin-1-ium-4-amine

Systemtic Name: ethanesulfonate; 3-(3-ethoxyphenyl)-1-ethyl-N,N-dimethyl-5-phenoxy-pyridin-1-ium-4-amine Openeye Name: ethanesulfonate; 3-(3-ethoxyphenyl)-1-ethyl-N,N-dimethyl-5-phenoxy-pyridin-1-ium-4-amine CAS Name: ethanesulfonate; 3-(3-ethoxyphenyl)-1-ethyl-N,N-dimethyl-5-phenoxy-4-pyridin-1-iumamine IUPAC Name: ethanesulfonate; 3-(3-ethoxyphenyl)-1-ethyl-N,N-dimethyl-5-phenoxypyridin-1-ium-4-amine Traditional Name: (1-ethyl-3-m-phenetyl-5-phenoxy-pyridin-1-ium-4-yl)-dimethyl-amine esylate Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)OCC)N(C)C)OC3=CC=CC=C3.CCS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)OCC)N(C)C)OC3=CC=CC=C3.CCS(=O)(=O)[O-]

InChI

InChI=1S/C23H27N2O2.C2H6O3S/c1-5-25-16-21(18-11-10-14-20(15-18)26-6-2)23(24(3)4)22(17-25)27-19-12-8-7-9-13-19;1-2-6(3,4)5/h7-17H,5-6H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1