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

Systemtic Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]azanium Openeye Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]ammonium CAS Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethyl-3-xanthenylidene]ammonium IUPAC Name: ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium Traditional Name: [9-(2-carbomethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium Formula: C27H29N2O3+ MolecularWeight: 429.53076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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