(3S)-1-[2-[2-(4-tert-butyl-2-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[2-[2-(4-tert-butyl-2-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[2-[2-(4-tert-butyl-2-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[2-[2-(4-tert-butyl-2-methyl-phenoxy)ethoxy]ethyl]-3-methyl-piperidin-1-ium Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2)C(C)(C)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCOCCOC2=C(C=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C21H35NO2/c1-17-7-6-10-22(16-17)11-12-23-13-14-24-20-9-8-19(15-18(20)2)21(3,4)5/h8-9,15,17H,6-7,10-14,16H2,1-5H3/p+1/t17-/m0/s1