2-[3-chloranyl-5-ethoxy-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]ethylazanium

Systemtic Name: 2-[3-chloranyl-5-ethoxy-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]ethylazanium Openeye Name: 2-[3-chloro-5-ethoxy-4-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]ethylammonium CAS Name: 2-[3-chloro-5-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethylammonium IUPAC Name: 2-[3-chloro-5-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethylazanium Traditional Name: 2-[3-chloro-5-ethoxy-4-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]ethylammonium Formula: C22H31ClNO3+ MolecularWeight: 392.93944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CC[NH3+])Cl)OCCOC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CC[NH3+])Cl)OCCOC2=CC(=C(C=C2)C(C)C)C

InChI

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