[4-(3-azanyl-10-methyl-phenanthridin-9-yl)phenyl]-ethoxycarbonyl-azanium; ethanesulfonate

Systemtic Name: [4-(3-azanyl-10-methyl-phenanthridin-9-yl)phenyl]-ethoxycarbonyl-azanium; ethanesulfonate Openeye Name: [4-(3-amino-10-methyl-phenanthridin-9-yl)phenyl]-ethoxycarbonyl-ammonium; ethanesulfonate CAS Name: [4-(3-amino-10-methyl-9-phenanthridinyl)phenyl]-ethoxycarbonylammonium; ethanesulfonate IUPAC Name: [4-(3-amino-10-methylphenanthridin-9-yl)phenyl]-ethoxycarbonylazanium; ethanesulfonate Traditional Name: [4-(3-amino-10-methyl-phenanthridin-9-yl)phenyl]-carbethoxy-ammonium esylate Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[NH2+]C1=CC=C(C=C1)C2=C(C3=C4C=CC(=CC4=NC=C3C=C2)N)C.CCS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)[NH2+]C1=CC=C(C=C1)C2=C(C3=C4C=CC(=CC4=NC=C3C=C2)N)C.CCS(=O)(=O)[O-]

InChI

InChI=1S/C23H21N3O2.C2H6O3S/c1-3-28-23(27)26-18-8-4-15(5-9-18)19-10-6-16-13-25-21-12-17(24)7-11-20(21)22(16)14(19)2;1-2-6(3,4)5/h4-13H,3,24H2,1-2H3,(H,26,27);2H2,1H3,(H,3,4,5)