[(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid [(2R)-1-(cyclopropylmethyl)-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-methoxyphenyl)acrylic acid [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl ester Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)OCC2CCC[NH+]2CC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)OC[C@H]2CCC[NH+]2CC3CC3

InChI

InChI=1S/C19H25NO3/c1-22-18-9-6-15(7-10-18)8-11-19(21)23-14-17-3-2-12-20(17)13-16-4-5-16/h6-11,16-17H,2-5,12-14H2,1H3/p+1/b11-8+/t17-/m1/s1