3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium; hydrogen sulfate; methyl sulfate

Systemtic Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium; hydrogen sulfate; methyl sulfate Openeye Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-ammonium; hydrogen sulfate; methyl sulfate CAS Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenyl-5-phenanthridin-5-iumyl]propyl-diethyl-methylammonium; hydrogen sulfate; methyl sulfate IUPAC Name: 3-[3,8-bis(ethoxycarbonylamino)-6-phenylphenanthridin-5-ium-5-yl]propyl-diethyl-methylazanium; hydrogen sulfate; methyl sulfate Traditional Name: 3-[3,8-bis(carbethoxyamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-ammonium; methyl sulfate; bisulfate Formula: C34H46N4O12S2 MolecularWeight: 766.87864

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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)NC(=O)OCC)NC(=O)OCC.COS(=O)(=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)NC(=O)OCC)NC(=O)OCC.COS(=O)(=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C33H40N4O4.CH4O4S.H2O4S/c1-6-37(5,7-2)21-13-20-36-30-23-26(35-33(39)41-9-4)17-19-28(30)27-18-16-25(34-32(38)40-8-3)22-29(27)31(36)24-14-11-10-12-15-24;1-5-6(2,3)4;1-5(2,3)4/h10-12,14-19,22-23H,6-9,13,20-21H2,1-5H3;1H3,(H,2,3,4);(H2,1,2,3,4)