[10-(2-ethoxycarbonylphenyl)-7-(ethylamino)-2,8-dimethyl-phenoxazin-10-ium-3-ylidene]-ethyl-azanium

Systemtic Name: [10-(2-ethoxycarbonylphenyl)-7-(ethylamino)-2,8-dimethyl-phenoxazin-10-ium-3-ylidene]-ethyl-azanium Openeye Name: [10-(2-ethoxycarbonylphenyl)-7-(ethylamino)-2,8-dimethyl-phenoxazin-10-ium-3-ylidene]-ethyl-ammonium CAS Name: [10-(2-ethoxycarbonylphenyl)-7-(ethylamino)-2,8-dimethyl-3-phenoxazin-10-iumylidene]-ethylammonium IUPAC Name: [10-(2-ethoxycarbonylphenyl)-7-(ethylamino)-2,8-dimethylphenoxazin-10-ium-3-ylidene]-ethylazanium Traditional Name: [10-(2-carbethoxyphenyl)-7-(ethylamino)-2,8-dimethyl-phenoxazin-10-ium-3-ylidene]-ethyl-ammonium Formula: C27H31N3O3+2 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1C)[N+](=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCNC1=CC2=C(C=C1C)[N+](=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C27H30N3O3/c1-6-28-20-15-25-23(13-17(20)4)30(22-12-10-9-11-19(22)27(31)32-8-3)24-14-18(5)21(29-7-2)16-26(24)33-25/h9-16,28H,6-8H2,1-5H3/q+1/p+1