[1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl 2-methylprop-2-enoate

Systemtic Name: [1-(4-oxidanyl-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl 2-methylprop-2-enoate Openeye Name: [1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [1-(4-hydroxy-4,4-diphenylbut-2-ynyl)-1-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [1-(4-hydroxy-4,4-diphenylbut-2-ynyl)pyrrolidin-1-ium-1-yl]methyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [1-(4-hydroxy-4,4-diphenyl-but-2-ynyl)pyrrolidin-1-ium-1-yl]methyl ester Formula: C25H28NO3+ MolecularWeight: 390.49472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OC[N+]1(CCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CC(=C)C(=O)OC[N+]1(CCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C25H28NO3/c1-21(2)24(27)29-20-26(17-9-10-18-26)19-11-16-25(28,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-8,12-15,28H,1,9-10,17-20H2,2H3/q+1