1-[4-(4-tert-butyl-2-methyl-phenoxy)butyl]-4-methyl-piperidin-1-ium

Systemtic Name: 1-[4-(4-tert-butyl-2-methyl-phenoxy)butyl]-4-methyl-piperidin-1-ium Openeye Name: 1-[4-(4-tert-butyl-2-methyl-phenoxy)butyl]-4-methyl-piperidin-1-ium CAS Name: 1-[4-(4-tert-butyl-2-methylphenoxy)butyl]-4-methylpiperidin-1-ium IUPAC Name: 1-[4-(4-tert-butyl-2-methylphenoxy)butyl]-4-methylpiperidin-1-ium Traditional Name: 1-[4-(4-tert-butyl-2-methyl-phenoxy)butyl]-4-methyl-piperidin-1-ium Formula: C21H36NO+ MolecularWeight: 318.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C21H35NO/c1-17-10-13-22(14-11-17)12-6-7-15-23-20-9-8-19(16-18(20)2)21(3,4)5/h8-9,16-17H,6-7,10-15H2,1-5H3/p+1