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

Systemtic Name: 2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=O)N=C2N1N(C3=CC=CC=C32)CC(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C20H25N5O3/c1-15-13-18(26)22-20-16-5-2-3-6-17(16)24(25(15)20)14-19(27)21-7-4-8-23-9-11-28-12-10-23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,21,27)/p+1