N-[5-(4-methylpiperazin-4-ium-1-yl)pyridin-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[5-(4-methylpiperazin-4-ium-1-yl)pyridin-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-pyridyl]-9H-xanthene-9-carboxamide CAS Name: N-[5-(4-methyl-1-piperazin-4-iumyl)-2-pyridinyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[5-(4-methylpiperazin-4-ium-1-yl)pyridin-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[5-(4-methylpiperazin-4-ium-1-yl)-2-pyridyl]-9H-xanthene-9-carboxamide Formula: C24H25N4O2+ MolecularWeight: 401.4809

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CN=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CN=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H24N4O2/c1-27-12-14-28(15-13-27)17-10-11-22(25-16-17)26-24(29)23-18-6-2-4-8-20(18)30-21-9-5-3-7-19(21)23/h2-11,16,23H,12-15H2,1H3,(H,25,26,29)/p+1