2-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]chromen-6-ol perchlorate

Systemtic Name: 2-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-ium-1-ylidene]chromen-6-ol perchlorate Openeye Name: 4-(4-benzylpiperazin-1-ium-1-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate CAS Name: 2-(4-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperazin-1-iumylidene]-1-benzopyran-6-ol perchlorate IUPAC Name: 4-(4-benzylpiperazin-1-ium-1-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate Traditional Name: 4-(4-benzylpiperazin-1-ium-1-ylidene)-2-(4-methoxyphenyl)chromen-6-ol perchlorate Formula: C27H27ClN2O7 MolecularWeight: 526.96548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[N+]3CCN(CC3)CC4=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)CC4=CC=CC=C4)C5=C(O2)C=CC(=C5)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H26N2O3.ClHO4/c1-31-23-10-7-21(8-11-23)27-18-25(24-17-22(30)9-12-26(24)32-27)29-15-13-28(14-16-29)19-20-5-3-2-4-6-20;2-1(3,4)5/h2-12,17-18H,13-16,19H2,1H3;(H,2,3,4,5)