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

Systemtic Name: 2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine chloride Openeye Name: 2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine chloride CAS Name: 2-[3-(4-tert-butylphenyl)-2-methyl-1-pyrrolidin-1-iumyl]-1,2,5,6-tetrahydropyrimidine chloride IUPAC Name: 2-[3-(4-tert-butylphenyl)-2-methylpyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine chloride Traditional Name: 2-[3-(4-tert-butylphenyl)-2-methyl-pyrrolidin-1-ium-1-yl]-1,2,5,6-tetrahydropyrimidine chloride Formula: C19H30ClN3 MolecularWeight: 335.9146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3.ClH/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;/h6-9,11,14,17-18,21H,5,10,12-13H2,1-4H3;1H