3-[[7-[[3-[(4-azanylcyclohexyl)amino]-3-oxidanylidene-propyl]-methyl-azaniumylidene]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate

Systemtic Name: 3-[[7-[[3-[(4-azanylcyclohexyl)amino]-3-oxidanylidene-propyl]-methyl-azaniumylidene]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate Openeye Name: 3-[[7-[[3-[(4-aminocyclohexyl)amino]-3-oxo-propyl]-methyl-iminio]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate CAS Name: 3-[[7-[[3-[(4-aminocyclohexyl)amino]-3-oxopropyl]-methyliminio]-3-phenoxazinyl]-ethylamino]-1-propanesulfonate IUPAC Name: 3-[[7-[[3-[(4-aminocyclohexyl)amino]-3-oxopropyl]-methylazaniumylidene]phenoxazin-3-yl]-ethylamino]propane-1-sulfonate Traditional Name: 3-[[7-[[3-[(4-aminocyclohexyl)amino]-3-keto-propyl]-methyl-iminio]phenoxazin-3-yl]-ethyl-amino]propane-1-sulfonate Formula: C27H37N5O5S MolecularWeight: 543.67818

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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)NC4CCC(CC4)N)C=C3O2

Isomeric SMILES

CCN(CCCS(=O)(=O)[O-])C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)CCC(=O)NC4CCC(CC4)N)C=C3O2

InChI

InChI=1S/C27H37N5O5S/c1-3-32(14-4-16-38(34,35)36)22-10-12-24-26(18-22)37-25-17-21(9-11-23(25)30-24)31(2)15-13-27(33)29-20-7-5-19(28)6-8-20/h9-12,17-20H,3-8,13-16,28H2,1-2H3,(H-,29,33,34,35,36)