1-[3-(aminomethyl)-5-methyl-4-oxidanyl-phenyl]butan-1-one chloride

Systemtic Name: 1-[3-(aminomethyl)-5-methyl-4-oxidanyl-phenyl]butan-1-one chloride Openeye Name: 1-[3-(aminomethyl)-4-hydroxy-5-methyl-phenyl]butan-1-one chloride CAS Name: 1-[3-(aminomethyl)-4-hydroxy-5-methylphenyl]-1-butanone chloride IUPAC Name: 1-[3-(aminomethyl)-4-hydroxy-5-methylphenyl]butan-1-one chloride Traditional Name: 1-[3-(aminomethyl)-4-hydroxy-5-methyl-phenyl]butan-1-one chloride Formula: C12H17ClNO2- MolecularWeight: 242.72188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C(=C1)CN)O)C.[Cl-]

Isomeric SMILES

CCCC(=O)C1=CC(=C(C(=C1)CN)O)C.[Cl-]

InChI

InChI=1S/C12H17NO2.ClH/c1-3-4-11(14)9-5-8(2)12(15)10(6-9)7-13;/h5-6,15H,3-4,7,13H2,1-2H3;1H/p-1