2-(azepan-1-ylmethyl)-4-bromanyl-6-methyl-aniline dihydrochloride

Systemtic Name: 2-(azepan-1-ylmethyl)-4-bromanyl-6-methyl-aniline dihydrochloride Openeye Name: 2-(azepan-1-ylmethyl)-4-bromo-6-methyl-aniline dihydrochloride CAS Name: 2-(1-azepanylmethyl)-4-bromo-6-methylaniline dihydrochloride IUPAC Name: 2-(azepan-1-ylmethyl)-4-bromo-6-methylaniline dihydrochloride Traditional Name: [2-(azepan-1-ylmethyl)-4-bromo-6-methyl-phenyl]amine dihydrochloride Formula: C14H23BrCl2N2 MolecularWeight: 370.15582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)CN2CCCCCC2)Br.Cl.Cl

Isomeric SMILES

CC1=CC(=CC(=C1N)CN2CCCCCC2)Br.Cl.Cl

InChI

InChI=1S/C14H21BrN2.2ClH/c1-11-8-13(15)9-12(14(11)16)10-17-6-4-2-3-5-7-17;;/h8-9H,2-7,10,16H2,1H3;2*1H