[3-chloranyl-5-ethoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium Openeye Name: [3-chloro-5-ethoxy-4-[2-(4-isopropylphenoxy)ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylazanium Traditional Name: [3-chloro-5-ethoxy-4-[2-(4-isopropylphenoxy)ethoxy]benzyl]ammonium Formula: C20H27ClNO3+ MolecularWeight: 364.88628

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO3/c1-4-23-19-12-15(13-22)11-18(21)20(19)25-10-9-24-17-7-5-16(6-8-17)14(2)3/h5-8,11-12,14H,4,9-10,13,22H2,1-3H3/p+1