4-[(E)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethenyl]pyridin-1-ium; methanesulfonate

Systemtic Name: 4-[(E)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethenyl]pyridin-1-ium; methanesulfonate Openeye Name: 4-[(E)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-vinyl]pyridin-1-ium; methanesulfonate CAS Name: 4-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridin-1-ium; methanesulfonate IUPAC Name: 4-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridin-1-ium; methanesulfonate Traditional Name: 4-[(E)-2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-vinyl]pyridin-1-ium mesylate Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC=[NH+]C=C2)C3=CC=CC=C3)OC4CCCC4.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=[NH+]C=C2)/C3=CC=CC=C3)OC4CCCC4.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H25NO2.CH4O3S/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-5(2,3)4/h2-4,7-8,11-18,22H,5-6,9-10H2,1H3;1H3,(H,2,3,4)/b23-17+;