2-[4-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol Openeye Name: 2-[4-(4-benzylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol CAS Name: 2-[4-[4-(phenylmethyl)-1-piperazin-1-iumylidene]-1-cyclohexa-2,5-dienylidene]-1-benzopyran-3,4-diol IUPAC Name: 2-[4-(4-benzylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol Traditional Name: 2-[4-(4-benzylpiperazin-1-ium-1-ylidene)cyclohexa-2,5-dien-1-ylidene]chromene-3,4-diol Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2C=CC(=C3C(=C(C4=CC=CC=C4O3)O)O)C=C2)CCN1CC5=CC=CC=C5

Isomeric SMILES

C1C[N+](=C2C=CC(=C3C(=C(C4=CC=CC=C4O3)O)O)C=C2)CCN1CC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O3/c29-24-22-8-4-5-9-23(22)31-26(25(24)30)20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13,30H,14-18H2/p+1