3-methyl-2-phenyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-4-one

Systemtic Name: 3-methyl-2-phenyl-8-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-4-one Openeye Name: 3-methyl-2-phenyl-8-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-4-one CAS Name: 3-methyl-8-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-phenyl-1-benzopyran-4-one IUPAC Name: 3-methyl-2-phenyl-8-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-4-one Traditional Name: 3-methyl-2-phenyl-8-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromone Formula: C26H24N3O3+ MolecularWeight: 426.48706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3/c1-18-23(30)20-10-7-11-21(25(20)32-24(18)19-8-3-2-4-9-19)26(31)29-16-14-28(15-17-29)22-12-5-6-13-27-22/h2-13H,14-17H2,1H3/p+1