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

Systemtic Name: 2-(4-methyl-2-oxidanylidene-pyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: 2-(4-methyl-2-oxo-pyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide CAS Name: 2-(4-methyl-2-oxo-6-pyrimido[1,2-b]indazolyl)-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: 2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-15-14-19(27)23-20-17-6-3-4-7-18(17)26(25(15)20)16(2)21(28)22-8-5-9-24-10-12-29-13-11-24/h3-4,6-7,14,16H,5,8-13H2,1-2H3,(H,22,28)/p+1