2-[3,4-bis[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-chloranyl-quinoline pentahydrobromide

Systemtic Name: 2-[3,4-bis[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-chloranyl-quinoline pentahydrobromide Openeye Name: 2-[3,4-bis[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-chloro-quinoline pentahydrobromide CAS Name: 2-[3,4-bis[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-chloroquinoline pentahydrobromide IUPAC Name: 2-[3,4-bis[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-chloroquinoline pentahydrobromide Traditional Name: 2-[3,4-bis[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-chloro-quinoline pentahydrobromide Formula: C29H43Br5ClN5 MolecularWeight: 896.65822

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)Cl)CN5CCCN(CC5)C.Br.Br.Br.Br.Br

Isomeric SMILES

CN1CCCN(CC1)CC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)Cl)CN5CCCN(CC5)C.Br.Br.Br.Br.Br

InChI

InChI=1S/C29H38ClN5.5BrH/c1-32-11-5-13-34(17-15-32)21-24-10-9-23(19-25(24)22-35-14-6-12-33(2)16-18-35)29-20-27(30)26-7-3-4-8-28(26)31-29;;;;;/h3-4,7-10,19-20H,5-6,11-18,21-22H2,1-2H3;5*1H