2-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate

Systemtic Name: 2-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate Openeye Name: 2-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate CAS Name: 2-(4-methoxyphenyl)-4-(4-phenyl-1-piperazin-1-iumylidene)-1-benzopyran-6-ol perchlorate IUPAC Name: 2-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate Traditional Name: 2-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-ium-1-ylidene)chromen-6-ol perchlorate Formula: C26H25ClN2O7 MolecularWeight: 512.9389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[N+]3CCN(CC3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[N+]3CCN(CC3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H24N2O3.ClHO4/c1-30-22-10-7-19(8-11-22)26-18-24(23-17-21(29)9-12-25(23)31-26)28-15-13-27(14-16-28)20-5-3-2-4-6-20;2-1(3,4)5/h2-12,17-18H,13-16H2,1H3;(H,2,3,4,5)