N-(2-cyanoethyl)-2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC[NH+]2CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCC[NH+]2CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C22H27N3O3/c1-2-27-19-10-8-18(9-11-19)21-7-3-13-24(21)17-22(26)25(14-5-12-23)16-20-6-4-15-28-20/h4,6,8-11,15,21H,2-3,5,7,13-14,16-17H2,1H3/p+1/t21-/m1/s1