N-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]butan-1-amine hydrochloride

Systemtic Name: N-[(3-chloranyl-4,5-dimethoxy-phenyl)methyl]butan-1-amine hydrochloride Openeye Name: N-[(3-chloro-4,5-dimethoxy-phenyl)methyl]butan-1-amine hydrochloride CAS Name: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-butanamine hydrochloride IUPAC Name: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]butan-1-amine hydrochloride Traditional Name: butyl-(3-chloro-4,5-dimethoxy-benzyl)amine hydrochloride Formula: C13H21Cl2NO2 MolecularWeight: 294.21734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)Cl)OC)OC.Cl

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)Cl)OC)OC.Cl

InChI

InChI=1S/C13H20ClNO2.ClH/c1-4-5-6-15-9-10-7-11(14)13(17-3)12(8-10)16-2;/h7-8,15H,4-6,9H2,1-3H3;1H