[3-chloranyl-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylazanium Openeye Name: [3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylammonium CAS Name: [3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylammonium IUPAC Name: [3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylazanium Traditional Name: [3-chloro-5-ethoxy-4-(3-phenylpropoxy)benzyl]ammonium Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH3+])Cl)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH3+])Cl)OCCCC2=CC=CC=C2

InChI

InChI=1S/C18H22ClNO2/c1-2-21-17-12-15(13-20)11-16(19)18(17)22-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10,13,20H2,1H3/p+1