[(E)-4-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]pent-2-enyl]-diethyl-azanium dichloride

Systemtic Name: [(E)-4-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]pent-2-enyl]-diethyl-azanium dichloride Openeye Name: [(E)-4-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]pent-2-enyl]-diethyl-ammonium dichloride CAS Name: [(E)-4-[(6-chloro-2-methoxy-9-acridinyl)ammonio]pent-2-enyl]-diethylammonium dichloride IUPAC Name: [(E)-4-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]pent-2-enyl]-diethylazanium dichloride Traditional Name: [(E)-4-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]pent-2-enyl]-diethyl-ammonium dichloride Formula: C23H30Cl3N3O MolecularWeight: 470.8628

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC=CC(C)[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)C/C=C/C(C)[NH2+]C1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.[Cl-].[Cl-]

InChI

InChI=1S/C23H28ClN3O.2ClH/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;;/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,26);2*1H/b8-7+;;