2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine ethanoate

Systemtic Name: 2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine ethanoate Openeye Name: 2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine acetate CAS Name: 2-[3-(4-tert-butylphenyl)-2-methyl-1-pyrrolidin-1-iumyl]-1,2,5,6-tetrahydropyrimidine acetate IUPAC Name: 2-[3-(4-tert-butylphenyl)-2-methylpyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine acetate Traditional Name: 2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine acetate Formula: C21H33N3O2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC[NH+]1C2NCCC=N2)C3=CC=C(C=C3)C(C)(C)C.CC(=O)[O-]

Isomeric SMILES

CC1C(CC[NH+]1C2NCCC=N2)C3=CC=C(C=C3)C(C)(C)C.CC(=O)[O-]

InChI

InChI=1S/C19H29N3.C2H4O2/c1-14-17(10-13-22(14)18-20-11-5-12-21-18)15-6-8-16(9-7-15)19(2,3)4;1-2(3)4/h6-9,11,14,17-18,21H,5,10,12-13H2,1-4H3;1H3,(H,3,4)