7-bromanyl-9-(hexadecylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one hydrochloride

Systemtic Name: 7-bromanyl-9-(hexadecylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one hydrochloride Openeye Name: 7-bromo-9-(hexadecylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one hydrochloride CAS Name: 7-bromo-9-(hexadecylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one hydrochloride IUPAC Name: 7-bromo-9-(hexadecylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one hydrochloride Traditional Name: 7-bromo-9-(cetylamino)-3,3-dimethyl-2,4-dihydroacridin-1-one hydrochloride Formula: C31H48BrClN2O MolecularWeight: 580.08262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C2C(=NC3=C1C=C(C=C3)Br)CC(CC2=O)(C)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C2C(=NC3=C1C=C(C=C3)Br)CC(CC2=O)(C)C.Cl

InChI

InChI=1S/C31H47BrN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-30-25-21-24(32)18-19-26(25)34-27-22-31(2,3)23-28(35)29(27)30;/h18-19,21H,4-17,20,22-23H2,1-3H3,(H,33,34);1H