ethyl 2-[3-(ethylamino)-7-ethylimino-2,8-dimethyl-phenoxazin-10-ium-10-yl]benzoate

Systemtic Name: ethyl 2-[3-(ethylamino)-7-ethylimino-2,8-dimethyl-phenoxazin-10-ium-10-yl]benzoate Openeye Name: ethyl 2-[3-(ethylamino)-7-ethylimino-2,8-dimethyl-phenoxazin-10-ium-10-yl]benzoate CAS Name: 2-[3-(ethylamino)-7-ethylimino-2,8-dimethyl-10-phenoxazin-10-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(ethylamino)-7-ethylimino-2,8-dimethylphenoxazin-10-ium-10-yl]benzoate Traditional Name: 2-[3-(ethylamino)-7-ethylimino-2,8-dimethyl-phenoxazin-10-ium-10-yl]benzoic acid ethyl ester Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC1=CC2=C(C=C1C)[N+](=C3C=C(C(=NCC)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