benzo[a]phenoxazin-7-ium-5-yl-(2-carboxyethylamino)-ethyl-(3-sulfopropyl)azanium

Systemtic Name: benzo[a]phenoxazin-7-ium-5-yl-(2-carboxyethylamino)-ethyl-(3-sulfopropyl)azanium Openeye Name: benzo[a]phenoxazin-7-ium-5-yl-(2-carboxyethylamino)-ethyl-(3-sulfopropyl)ammonium CAS Name: 5-benzo[a]phenoxazin-7-iumyl-(2-carboxyethylamino)-ethyl-(3-sulfopropyl)ammonium IUPAC Name: benzo[a]phenoxazin-7-ium-5-yl-(2-carboxyethylamino)-ethyl-(3-sulfopropyl)azanium Traditional Name: benzo[a]phenoxazin-7-ium-5-yl-(2-carboxyethylamino)-ethyl-(3-sulfopropyl)ammonium Formula: C24H27N3O6S+2 MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCCS(=O)(=O)O)(C1=CC2=[O+]C3=CC=CC=C3N=C2C4=CC=CC=C41)NCCC(=O)O

Isomeric SMILES

CC[N+](CCCS(=O)(=O)O)(C1=CC2=[O+]C3=CC=CC=C3N=C2C4=CC=CC=C41)NCCC(=O)O

InChI

InChI=1S/C24H25N3O6S/c1-2-27(25-13-12-23(28)29,14-7-15-34(30,31)32)20-16-22-24(18-9-4-3-8-17(18)20)26-19-10-5-6-11-21(19)33-22/h3-6,8-11,16,25H,2,7,12-15H2,1H3/p+2