methyl-[3-[methyl(pyrrolidin-2-ylidene)azaniumyl]-6-oxidanylidene-5H-phenanthridin-8-yl]-pyrrolidin-2-ylidene-azanium dihydrate dihydrochloride

Systemtic Name: methyl-[3-[methyl(pyrrolidin-2-ylidene)azaniumyl]-6-oxidanylidene-5H-phenanthridin-8-yl]-pyrrolidin-2-ylidene-azanium dihydrate dihydrochloride Openeye Name: methyl-[3-[methyl(pyrrolidin-2-ylidene)ammonio]-6-oxo-5H-phenanthridin-8-yl]-pyrrolidin-2-ylidene-ammonium dihydrate dihydrochloride CAS Name: methyl-[3-[methyl(2-pyrrolidinylidene)ammonio]-6-oxo-5H-phenanthridin-8-yl]-(2-pyrrolidinylidene)ammonium dihydrate dihydrochloride IUPAC Name: methyl-[3-[methyl(pyrrolidin-2-ylidene)azaniumyl]-6-oxo-5H-phenanthridin-8-yl]-pyrrolidin-2-ylideneazanium dihydrate dihydrochloride Traditional Name: [6-keto-3-[methyl(pyrrolidin-2-ylidene)ammonio]-5H-phenanthridin-8-yl]-methyl-pyrrolidin-2-ylidene-ammonium dihydrate dihydrochloride Formula: C23H33Cl2N5O3+2 MolecularWeight: 498.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1CCCN1)C2=CC3=C(C=C2)C4=C(C=C(C=C4)[N+](=C5CCCN5)C)NC3=O.O.O.Cl.Cl

Isomeric SMILES

C[N+](=C1CCCN1)C2=CC3=C(C=C2)C4=C(C=C(C=C4)[N+](=C5CCCN5)C)NC3=O.O.O.Cl.Cl

InChI

InChI=1S/C23H25N5O.2ClH.2H2O/c1-27(21-5-3-11-24-21)15-7-9-17-18-10-8-16(28(2)22-6-4-12-25-22)14-20(18)26-23(29)19(17)13-15;;;;/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29);2*1H;2*1H2/p+2