2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: 2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[3-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propyl]acetamide IUPAC Name: 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acetamide Formula: C26H38N6O2+2 MolecularWeight: 466.61892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC[NH+]4CCC(CC4)[NH+]5CCCCC5

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC[NH+]4CCC(CC4)[NH+]5CCCCC5

InChI

InChI=1S/C26H36N6O2/c1-20-18-24(33)28-26-22-8-3-4-9-23(22)31(32(20)26)19-25(34)27-12-7-13-29-16-10-21(11-17-29)30-14-5-2-6-15-30/h3-4,8-9,18,21H,2,5-7,10-17,19H2,1H3,(H,27,34)/p+2