N-[3-(4-methoxyphenyl)-4-oxidanylidene-chromen-2-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(4-methoxyphenyl)-4-oxidanylidene-chromen-2-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[3-(4-methoxyphenyl)-4-oxo-chromen-2-yl]acetamide CAS Name: N-[3-(4-methoxyphenyl)-4-oxo-1-benzopyran-2-yl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[4-keto-3-(4-methoxyphenyl)chromen-2-yl]acetamide Formula: C29H30N3O4+ MolecularWeight: 484.5662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)NC(=O)C[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)NC(=O)C[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O4/c1-35-23-13-11-22(12-14-23)27-28(34)24-9-5-6-10-25(24)36-29(27)30-26(33)20-32-17-15-31(16-18-32)19-21-7-3-2-4-8-21/h2-14H,15-20H2,1H3,(H,30,33)/p+1