3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-(4-p-anisylpiperazin-4-ium-1-carbonyl)coumarin Formula: C22H23N2O4+ MolecularWeight: 379.42902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H22N2O4/c1-27-18-8-6-16(7-9-18)15-23-10-12-24(13-11-23)21(25)19-14-17-4-2-3-5-20(17)28-22(19)26/h2-9,14H,10-13,15H2,1H3/p+1