6-chloranyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-(4-p-anisylpiperazin-4-ium-1-carbonyl)chromone Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN2O4/c1-28-17-5-2-15(3-6-17)14-24-8-10-25(11-9-24)22(27)21-13-19(26)18-12-16(23)4-7-20(18)29-21/h2-7,12-13H,8-11,14H2,1H3/p+1