1-(9-bromanylphenanthren-3-yl)-3-(dipentylamino)propan-1-one chloride

Systemtic Name: 1-(9-bromanylphenanthren-3-yl)-3-(dipentylamino)propan-1-one chloride Openeye Name: 1-(9-bromo-3-phenanthryl)-3-(dipentylamino)propan-1-one chloride CAS Name: 1-(9-bromo-3-phenanthrenyl)-3-(dipentylamino)-1-propanone chloride IUPAC Name: 1-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-one chloride Traditional Name: 1-(9-bromo-3-phenanthryl)-3-(diamylamino)propan-1-one chloride Formula: C27H34BrClNO- MolecularWeight: 503.92196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.[Cl-]

Isomeric SMILES

CCCCCN(CCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.[Cl-]

InChI

InChI=1S/C27H34BrNO.ClH/c1-3-5-9-16-29(17-10-6-4-2)18-15-27(30)22-14-13-21-20-26(28)24-12-8-7-11-23(24)25(21)19-22;/h7-8,11-14,19-20H,3-6,9-10,15-18H2,1-2H3;1H/p-1