methyl 3-(9-bromanyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl)propanoate chloride

Systemtic Name: methyl 3-(9-bromanyl-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl)propanoate chloride Openeye Name: methyl 3-(9-bromo-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl)propanoate chloride CAS Name: 3-(9-bromo-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl)propanoic acid methyl ester chloride IUPAC Name: methyl 3-(9-bromo-1-ethyl-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl)propanoate chloride Traditional Name: 3-(9-bromo-1-ethyl-2,3,4,6,7,12-hexahydropyrido[2,1-a]$b-carbolin-5-ium-1-yl)propionic acid methyl ester chloride Formula: C21H26BrClN2O2 MolecularWeight: 453.80034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC[N+]2=C1C3=C(CC2)C4=C(N3)C=CC(=C4)Br)CCC(=O)OC.[Cl-]

Isomeric SMILES

CCC1(CCC[N+]2=C1C3=C(CC2)C4=C(N3)C=CC(=C4)Br)CCC(=O)OC.[Cl-]

InChI

InChI=1S/C21H25BrN2O2.ClH/c1-3-21(10-7-18(25)26-2)9-4-11-24-12-8-15-16-13-14(22)5-6-17(16)23-19(15)20(21)24;/h5-6,13H,3-4,7-12H2,1-2H3;1H