2-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]ethyl-bis(2-chloroethyl)azanium dichloride

Systemtic Name: 2-[(6-chloranyl-2-methoxy-acridin-9-yl)azaniumyl]ethyl-bis(2-chloroethyl)azanium dichloride Openeye Name: bis(2-chloroethyl)-[2-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]ethyl]ammonium dichloride CAS Name: bis(2-chloroethyl)-[2-[(6-chloro-2-methoxy-9-acridinyl)ammonio]ethyl]ammonium dichloride IUPAC Name: bis(2-chloroethyl)-[2-[(6-chloro-2-methoxyacridin-9-yl)azaniumyl]ethyl]azanium dichloride Traditional Name: bis(2-chloroethyl)-[2-[(6-chloro-2-methoxy-acridin-9-yl)ammonio]ethyl]ammonium dichloride Formula: C20H24Cl5N3O MolecularWeight: 499.68906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CC[NH+](CCCl)CCCl.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)[NH2+]CC[NH+](CCCl)CCCl.[Cl-].[Cl-]

InChI

InChI=1S/C20H22Cl3N3O.2ClH/c1-27-15-3-5-18-17(13-15)20(16-4-2-14(23)12-19(16)25-18)24-8-11-26(9-6-21)10-7-22;;/h2-5,12-13H,6-11H2,1H3,(H,24,25);2*1H