6-(ethoxymethyl)-2-[4-(4-phenylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol

Systemtic Name: 6-(ethoxymethyl)-2-[4-(4-phenylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol Openeye Name: 6-(ethoxymethyl)-2-[4-(4-phenylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol CAS Name: 6-(ethoxymethyl)-2-[4-(4-phenyl-1-piperazin-1-iumylidene)-1-cyclohexa-2,5-dienylidene]-1-benzopyran-3,4-diol IUPAC Name: 6-(ethoxymethyl)-2-[4-(4-phenylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol Traditional Name: 6-(ethoxymethyl)-2-[4-(4-phenylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol Formula: C28H29N2O4+ MolecularWeight: 457.54086

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC2=C(C=C1)OC(=C3C=CC(=[N+]4CCN(CC4)C5=CC=CC=C5)C=C3)C(=C2O)O

Isomeric SMILES

CCOCC1=CC2=C(C=C1)OC(=C3C=CC(=[N+]4CCN(CC4)C5=CC=CC=C5)C=C3)C(=C2O)O

InChI

InChI=1S/C28H28N2O4/c1-2-33-19-20-8-13-25-24(18-20)26(31)27(32)28(34-25)21-9-11-23(12-10-21)30-16-14-29(15-17-30)22-6-4-3-5-7-22/h3-13,18,32H,2,14-17,19H2,1H3/p+1