(5-chloranyl-2-prop-2-enoxy-phenyl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (5-chloranyl-2-prop-2-enoxy-phenyl)methyl-(3-oxidanylpropyl)azanium Openeye Name: (2-allyloxy-5-chloro-phenyl)methyl-(3-hydroxypropyl)ammonium CAS Name: (5-chloro-2-prop-2-enoxyphenyl)methyl-(3-hydroxypropyl)ammonium IUPAC Name: (5-chloro-2-prop-2-enoxyphenyl)methyl-(3-hydroxypropyl)azanium Traditional Name: (2-allyloxy-5-chloro-benzyl)-(3-hydroxypropyl)ammonium Formula: C13H19ClNO2+ MolecularWeight: 256.74846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO2/c1-2-8-17-13-5-4-12(14)9-11(13)10-15-6-3-7-16/h2,4-5,9,15-16H,1,3,6-8,10H2/p+1