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

Systemtic Name: [3-chloranyl-5-ethoxy-4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethoxy]phenyl]methylazanium Openeye Name: [3-chloro-5-ethoxy-4-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [3-chloro-5-ethoxy-4-[2-(4-isopropyl-3-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=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

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

InChI

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