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

Systemtic Name: [3-chloranyl-5-ethoxy-4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethoxy]phenyl]methylazanium Openeye Name: [3-chloro-5-ethoxy-4-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [3-chloro-5-ethoxy-4-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]benzyl]ammonium Formula: C21H29ClNO3+ MolecularWeight: 378.91286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO3/c1-5-24-20-12-16(13-23)11-18(22)21(20)26-9-8-25-19-10-15(4)6-7-17(19)14(2)3/h6-7,10-12,14H,5,8-9,13,23H2,1-4H3/p+1