2-[4-[2-(2-tert-butyl-5-methyl-phenoxy)ethoxy]-3-chloranyl-5-methoxy-phenyl]ethylazanium

Systemtic Name: 2-[4-[2-(2-tert-butyl-5-methyl-phenoxy)ethoxy]-3-chloranyl-5-methoxy-phenyl]ethylazanium Openeye Name: 2-[4-[2-(2-tert-butyl-5-methyl-phenoxy)ethoxy]-3-chloro-5-methoxy-phenyl]ethylammonium CAS Name: 2-[4-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethylammonium IUPAC Name: 2-[4-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-chloro-5-methoxyphenyl]ethylazanium Traditional Name: 2-[4-[2-(2-tert-butyl-5-methyl-phenoxy)ethoxy]-3-chloro-5-methoxy-phenyl]ethylammonium Formula: C22H31ClNO3+ MolecularWeight: 392.93944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OCCOC2=C(C=C(C=C2Cl)CC[NH3+])OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OCCOC2=C(C=C(C=C2Cl)CC[NH3+])OC

InChI

InChI=1S/C22H30ClNO3/c1-15-6-7-17(22(2,3)4)19(12-15)26-10-11-27-21-18(23)13-16(8-9-24)14-20(21)25-5/h6-7,12-14H,8-11,24H2,1-5H3/p+1