3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)propanamide

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)propanamide Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)propanamide CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-N-[3-(1-piperidin-1-iumyl)propyl]propanamide IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)propanamide Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-N-(3-piperidin-1-ium-1-ylpropyl)propionamide Formula: C23H32N5O+ MolecularWeight: 394.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCCC[NH+]4CCCCC4

InChI

InChI=1S/C23H31N5O/c1-17-19(11-12-22(29)24-13-8-16-27-14-6-3-7-15-27)18(2)28-23(25-17)20-9-4-5-10-21(20)26-28/h4-5,9-10H,3,6-8,11-16H2,1-2H3,(H,24,29)/p+1