10-[3-[2,6-bis(bromanyl)-4-methyl-phenoxy]propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride

Systemtic Name: 10-[3-[2,6-bis(bromanyl)-4-methyl-phenoxy]propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride Openeye Name: 10-[3-(2,6-dibromo-4-methyl-phenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride CAS Name: 10-[3-(2,6-dibromo-4-methylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride IUPAC Name: 10-[3-(2,6-dibromo-4-methylphenoxy)propyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride Traditional Name: 10-[3-(2,6-dibromo-4-methyl-phenoxy)propyl]-1,2,3,4,5,6-hexahydroazepin[4,5-b]indole hydrochloride Formula: C22H25Br2ClN2O MolecularWeight: 528.7077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCC2=C3C4=C(CCNCC4)NC3=CC=C2)Br.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCC2=C3C4=C(CCNCC4)NC3=CC=C2)Br.Cl

InChI

InChI=1S/C22H24Br2N2O.ClH/c1-14-12-17(23)22(18(24)13-14)27-11-3-5-15-4-2-6-20-21(15)16-7-9-25-10-8-19(16)26-20;/h2,4,6,12-13,25-26H,3,5,7-11H2,1H3;1H