1-(2-azanyl-3-methyl-phenyl)-4-chloranyl-butan-1-one hydrochloride

Systemtic Name: 1-(2-azanyl-3-methyl-phenyl)-4-chloranyl-butan-1-one hydrochloride Openeye Name: 1-(2-amino-3-methyl-phenyl)-4-chloro-butan-1-one hydrochloride CAS Name: 1-(2-amino-3-methylphenyl)-4-chloro-1-butanone hydrochloride IUPAC Name: 1-(2-amino-3-methylphenyl)-4-chlorobutan-1-one hydrochloride Traditional Name: 1-(2-amino-3-methyl-phenyl)-4-chloro-butan-1-one hydrochloride Formula: C11H15Cl2NO MolecularWeight: 248.1489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)CCCCl.Cl

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)CCCCl.Cl

InChI

InChI=1S/C11H14ClNO.ClH/c1-8-4-2-5-9(11(8)13)10(14)6-3-7-12;/h2,4-5H,3,6-7,13H2,1H3;1H