3-(3-azanyl-8-azido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium dichloride

Systemtic Name: 3-(3-azanyl-8-azido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-azanium dichloride Openeye Name: 3-(3-amino-8-azido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium dichloride CAS Name: 3-(3-amino-8-azido-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium dichloride IUPAC Name: 3-(3-amino-8-azido-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium dichloride Traditional Name: 3-(3-amino-8-azido-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium dichloride Formula: C27H32Cl2N6 MolecularWeight: 511.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N.[Cl-].[Cl-]

Isomeric SMILES

CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N.[Cl-].[Cl-]

InChI

InChI=1S/C27H31N6.2ClH/c1-4-33(3,5-2)17-9-16-32-26-18-21(28)12-14-24(26)23-15-13-22(30-31-29)19-25(23)27(32)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,28H,4-5,9,16-17H2,1-3H3;2*1H/q+1;;/p-1