(5-chloranyl-2-prop-2-enoxy-phenyl)methyl-(4-oxidanylbutyl)azanium

Systemtic Name: (5-chloranyl-2-prop-2-enoxy-phenyl)methyl-(4-oxidanylbutyl)azanium Openeye Name: (2-allyloxy-5-chloro-phenyl)methyl-(4-hydroxybutyl)ammonium CAS Name: (5-chloro-2-prop-2-enoxyphenyl)methyl-(4-hydroxybutyl)ammonium IUPAC Name: (5-chloro-2-prop-2-enoxyphenyl)methyl-(4-hydroxybutyl)azanium Traditional Name: (2-allyloxy-5-chloro-benzyl)-(4-hydroxybutyl)ammonium Formula: C14H21ClNO2+ MolecularWeight: 270.77504

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)Cl)C[NH2+]CCCCO

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)Cl)C[NH2+]CCCCO

InChI

InChI=1S/C14H20ClNO2/c1-2-9-18-14-6-5-13(15)10-12(14)11-16-7-3-4-8-17/h2,5-6,10,16-17H,1,3-4,7-9,11H2/p+1