[9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium perchlorate

Systemtic Name: [9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium perchlorate Openeye Name: [9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium perchlorate CAS Name: [9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium perchlorate IUPAC Name: [9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium perchlorate Traditional Name: [9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium perchlorate Formula: C22H27ClN2O7 MolecularWeight: 466.91198

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2CCC(=O)O)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2CCC(=O)O)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H26N2O3.ClHO4/c1-5-23-18-11-20-16(9-13(18)3)15(7-8-22(25)26)17-10-14(4)19(24-6-2)12-21(17)27-20;2-1(3,4)5/h9-12,23H,5-8H2,1-4H3,(H,25,26);(H,2,3,4,5)