(3-chloranyl-5-methoxy-4-pentoxy-phenyl)methylazanium

Systemtic Name: (3-chloranyl-5-methoxy-4-pentoxy-phenyl)methylazanium Openeye Name: (3-chloro-5-methoxy-4-pentoxy-phenyl)methylammonium CAS Name: (3-chloro-5-methoxy-4-pentoxyphenyl)methylammonium IUPAC Name: (3-chloro-5-methoxy-4-pentoxyphenyl)methylazanium Traditional Name: (4-amoxy-3-chloro-5-methoxy-benzyl)ammonium Formula: C13H21ClNO2+ MolecularWeight: 258.76434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Cl)C[NH3+])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Cl)C[NH3+])OC

InChI

InChI=1S/C13H20ClNO2/c1-3-4-5-6-17-13-11(14)7-10(9-15)8-12(13)16-2/h7-8H,3-6,9,15H2,1-2H3/p+1