5-[3-(diethylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate

Systemtic Name: 5-[3-(diethylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate Openeye Name: 5-[3-(diethylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine; methanesulfonate CAS Name: 5-[3-(diethylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine; methanesulfonate IUPAC Name: 5-[3-(diethylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine; methanesulfonate Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-amine mesylate Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4.CH4O3S/c1-3-29(4-2)15-8-16-30-25-18-21(28)12-14-23(25)22-13-11-20(27)17-24(22)26(30)19-9-6-5-7-10-19;1-5(2,3)4/h5-7,9-14,17-18,28H,3-4,8,15-16,27H2,1-2H3;1H3,(H,2,3,4)