3-[[7-[[3-(5-azanylpentylamino)-3-oxidanylidene-propyl]-methyl-azaniumylidene]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate

Systemtic Name: 3-[[7-[[3-(5-azanylpentylamino)-3-oxidanylidene-propyl]-methyl-azaniumylidene]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate Openeye Name: 3-[[7-[[3-(5-aminopentylamino)-3-oxo-propyl]-methyl-iminio]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate CAS Name: 3-[[7-[[3-(5-aminopentylamino)-3-oxopropyl]-methyliminio]-3-phenoxazinyl]-ethylamino]-1-propanesulfonate IUPAC Name: 3-[[7-[[3-(5-aminopentylamino)-3-oxopropyl]-methylazaniumylidene]phenoxazin-3-yl]-ethylamino]propane-1-sulfonate Traditional Name: 3-[[7-[[3-(5-aminopentylamino)-3-keto-propyl]-methyl-iminio]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate Formula: C26H37N5O5S MolecularWeight: 531.66748

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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)NCCCCCN)C=C3O2

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O5S/c1-3-31(15-7-17-37(33,34)35)21-9-11-23-25(19-21)36-24-18-20(8-10-22(24)29-23)30(2)16-12-26(32)28-14-6-4-5-13-27/h8-11,18-19H,3-7,12-17,27H2,1-2H3,(H-,28,32,33,34,35)