(5-chloranyl-2-oxidanyl-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C13H17ClN3O+ MolecularWeight: 266.74658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C[NH2+]CCCN2C=CN=C2)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)C[NH2+]CCCN2C=CN=C2)O

InChI

InChI=1S/C13H16ClN3O/c14-12-2-3-13(18)11(8-12)9-15-4-1-6-17-7-5-16-10-17/h2-3,5,7-8,10,15,18H,1,4,6,9H2/p+1