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

Systemtic Name: 3-[ethyl-[7-[methyl(3-oxidanylidenebutyl)azaniumylidene]phenoxazin-3-yl]amino]propane-1-sulfonate Openeye Name: 3-[ethyl-[7-[methyl(3-oxobutyl)iminio]phenoxazin-3-yl]amino]propane-1-sulfonate CAS Name: 3-[ethyl-[7-[methyl(3-oxobutyl)iminio]-3-phenoxazinyl]amino]-1-propanesulfonate IUPAC Name: 3-[ethyl-[7-[methyl(3-oxobutyl)azaniumylidene]phenoxazin-3-yl]amino]propane-1-sulfonate Traditional Name: 3-[ethyl-[7-[3-ketobutyl(methyl)iminio]phenoxazin-3-yl]amino]propane-1-sulfonate Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-4-25(11-5-13-31(27,28)29)18-7-9-20-22(15-18)30-21-14-17(6-8-19(21)23-20)24(3)12-10-16(2)26/h6-9,14-15H,4-5,10-13H2,1-3H3