sodium [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] hydrogen phosphate

Systemtic Name: sodium [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] hydrogen phosphate Openeye Name: sodium [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]-2-thienyl]-4-piperidyl] hydrogen phosphate CAS Name: sodium [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-thiophenyl]-4-piperidinyl] hydrogen phosphate IUPAC Name: sodium [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] hydrogen phosphate Traditional Name: sodium [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)vinyl]-2-thienyl]-4-piperidyl] hydrogen phosphate Formula: C20H22N2NaO6PS MolecularWeight: 472.427011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC=C(S2)N3CCC(CC3)OP(=O)(O)[O-])C#N)OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C/C2=CC=C(S2)N3CCC(CC3)OP(=O)(O)[O-])/C#N)OC.[Na+]

InChI

InChI=1S/C20H23N2O6PS.Na/c1-26-18-5-3-14(12-19(18)27-2)15(13-21)11-17-4-6-20(30-17)22-9-7-16(8-10-22)28-29(23,24)25;/h3-6,11-12,16H,7-10H2,1-2H3,(H2,23,24,25);/q;+1/p-1/b15-11+;