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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-14-13-18(26)22-19-16-5-3-4-6-17(16)25(24(14)19)15(2)20(27)21-7-8-23-9-11-28-12-10-23/h3-6,13,15H,7-12H2,1-2H3,(H,21,27)/p+1