ethyl (Z)-2-cyano-3-[(6R)-6-ethyl-6-methyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[(6R)-6-ethyl-6-methyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[(6R)-6-ethyl-6-methyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[(6R)-6-ethyl-6-methyl-4-(1-pyrrolidin-1-iumyl)-2,5-dihydropyran-3-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[(6R)-6-ethyl-6-methyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[(6R)-6-ethyl-6-methyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl]acrylic acid ethyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=C(CO1)C=C(C#N)C(=O)OCC)[NH+]2CCCC2)C

Isomeric SMILES

CC[C@@]1(CC(=C(CO1)/C=C(/C#N)\C(=O)OCC)[NH+]2CCCC2)C

InChI

InChI=1S/C18H26N2O3/c1-4-18(3)11-16(20-8-6-7-9-20)15(13-23-18)10-14(12-19)17(21)22-5-2/h10H,4-9,11,13H2,1-3H3/p+1/b14-10-/t18-/m1/s1