3-[[7-[[3-(carboxymethylamino)-3-oxidanylidene-propyl]-methyl-azaniumylidene]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate

Systemtic Name: 3-[[7-[[3-(carboxymethylamino)-3-oxidanylidene-propyl]-methyl-azaniumylidene]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate Openeye Name: 3-[[7-[[3-(carboxymethylamino)-3-oxo-propyl]-methyl-iminio]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate CAS Name: 3-[[7-[[3-(carboxymethylamino)-3-oxopropyl]-methyliminio]-3-phenoxazinyl]-ethylamino]-1-propanesulfonate IUPAC Name: 3-[[7-[[3-(carboxymethylamino)-3-oxopropyl]-methylazaniumylidene]phenoxazin-3-yl]-ethylamino]propane-1-sulfonate Traditional Name: 3-[[7-[[3-(carboxymethylamino)-3-keto-propyl]-methyl-iminio]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate Formula: C23H28N4O7S MolecularWeight: 504.55602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)[O-])C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)NCC(=O)O)C=C3O2

Isomeric SMILES

CCN(CCCS(=O)(=O)[O-])C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)NCC(=O)O)C=C3O2

InChI

InChI=1S/C23H28N4O7S/c1-3-27(10-4-12-35(31,32)33)17-6-8-19-21(14-17)34-20-13-16(5-7-18(20)25-19)26(2)11-9-22(28)24-15-23(29)30/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H2-,24,28,29,30,31,32,33)