tert-butyl N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-oxo-propyl]carbamate CAS Name: N-[3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]propyl]carbamic acid tert-butyl ester Formula: C18H29N4O4+ MolecularWeight: 365.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2

InChI

InChI=1S/C18H28N4O4/c1-18(2,3)26-17(24)19-7-6-16(23)21-13-14-4-5-15(20-12-14)22-8-10-25-11-9-22/h4-5,12H,6-11,13H2,1-3H3,(H,19,24)(H,21,23)/p+1