N4-(6-chloranyl-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine dihydrate hydrochloride

Systemtic Name: N4-(6-chloranyl-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine dihydrate hydrochloride Openeye Name: N4-(6-chloro-2-methoxy-acridin-9-yl)-N1,N1-diethyl-pentane-1,4-diamine dihydrate hydrochloride CAS Name: N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethylpentane-1,4-diamine dihydrate hydrochloride IUPAC Name: 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine dihydrate hydrochloride Traditional Name: 4-[(6-chloro-2-methoxy-acridin-9-yl)amino]pentyl-diethyl-amine dihydrate hydrochloride Formula: C23H35Cl2N3O3 MolecularWeight: 472.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.O.Cl

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.O.O.Cl

InChI

InChI=1S/C23H30ClN3O.ClH.2H2O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);1H;2*1H2