3-(2-chloranyl-10-ethyl-9H-acridin-9-yl)-N,N-dimethyl-propan-1-amine; phosphoric acid; dihydrate

Systemtic Name: 3-(2-chloranyl-10-ethyl-9H-acridin-9-yl)-N,N-dimethyl-propan-1-amine; phosphoric acid; dihydrate Openeye Name: 3-(2-chloro-10-ethyl-9H-acridin-9-yl)-N,N-dimethyl-propan-1-amine; phosphoric acid; dihydrate CAS Name: 3-(2-chloro-10-ethyl-9H-acridin-9-yl)-N,N-dimethyl-1-propanamine; phosphoric acid; dihydrate IUPAC Name: 3-(2-chloro-10-ethyl-9H-acridin-9-yl)-N,N-dimethylpropan-1-amine; phosphoric acid; dihydrate Traditional Name: 3-(2-chloro-10-ethyl-9H-acridin-9-yl)propyl-dimethyl-amine; phosphoric acid; dihydrate Formula: C20H32ClN2O6P MolecularWeight: 462.904641

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C31)CCCN(C)C.O.O.OP(=O)(O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Cl)C(C3=CC=CC=C31)CCCN(C)C.O.O.OP(=O)(O)O

InChI

InChI=1S/C20H25ClN2.H3O4P.2H2O/c1-4-23-19-10-6-5-8-17(19)16(9-7-13-22(2)3)18-14-15(21)11-12-20(18)23;1-5(2,3)4;;/h5-6,8,10-12,14,16H,4,7,9,13H2,1-3H3;(H3,1,2,3,4);2*1H2