[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-7-methyl-xanthen-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-7-methyl-xanthen-3-ylidene]-dimethyl-azanium Openeye Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-7-methyl-xanthen-3-ylidene]-dimethyl-ammonium CAS Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-7-methyl-3-xanthenylidene]-dimethylammonium IUPAC Name: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-7-methylxanthen-3-ylidene]-dimethylazanium Traditional Name: [9-(2-carbethoxyphenyl)-6-(ethylamino)-7-methyl-xanthen-3-ylidene]-dimethyl-ammonium Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[N+](C)C)C=CC3=C2C4=CC=CC=C4C(=O)OCC)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[N+](C)C)C=CC3=C2C4=CC=CC=C4C(=O)OCC)C

InChI

InChI=1S/C27H28N2O3/c1-6-28-23-16-25-22(14-17(23)3)26(19-10-8-9-11-20(19)27(30)31-7-2)21-13-12-18(29(4)5)15-24(21)32-25/h8-16H,6-7H2,1-5H3/p+1