ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[6,6-dimethyl-4-(1-pyrrolidin-1-iumyl)-2,5-dihydropyran-3-yl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-ium-1-yl-2,5-dihydropyran-3-yl)acrylic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(CC(OC1)(C)C)[NH+]2CCCC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(CC(OC1)(C)C)[NH+]2CCCC2)/C#N

InChI

InChI=1S/C17H24N2O3/c1-4-21-16(20)13(11-18)9-14-12-22-17(2,3)10-15(14)19-7-5-6-8-19/h9H,4-8,10,12H2,1-3H3/p+1/b13-9+