1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]pyrrolidin-1-ium

Systemtic Name: 1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]pyrrolidin-1-ium Openeye Name: 1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]pyrrolidin-1-ium CAS Name: 1-[3-(2-tert-butyl-6-methylphenoxy)propyl]pyrrolidin-1-ium IUPAC Name: 1-[3-(2-tert-butyl-6-methylphenoxy)propyl]pyrrolidin-1-ium Traditional Name: 1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]pyrrolidin-1-ium Formula: C18H30NO+ MolecularWeight: 276.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OCCC[NH+]2CCCC2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OCCC[NH+]2CCCC2

InChI

InChI=1S/C18H29NO/c1-15-9-7-10-16(18(2,3)4)17(15)20-14-8-13-19-11-5-6-12-19/h7,9-10H,5-6,8,11-14H2,1-4H3/p+1