N-(3-cyanothiophen-2-yl)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propionamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CCC(=O)NC3=C(C=CS3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CCC(=O)NC3=C(C=CS3)C#N)OC

InChI

InChI=1S/C20H23N3O3S/c1-25-15-5-6-16(18(12-15)26-2)17-4-3-9-23(17)10-7-19(24)22-20-14(13-21)8-11-27-20/h5-6,8,11-12,17H,3-4,7,9-10H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1