5-ethyl-N-[[3-methyl-7-(2-pyrrolidin-1-ium-1-ylethanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-ethyl-N-[[3-methyl-7-(2-pyrrolidin-1-ium-1-ylethanoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-ethyl-N-[[3-methyl-7-(2-pyrrolidin-1-ium-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]isoxazole-3-carboxamide CAS Name: 5-ethyl-N-[[3-methyl-7-[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-ethyl-N-[[3-methyl-7-(2-pyrrolidin-1-ium-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-ethyl-N-[[3-methyl-7-(2-pyrrolidin-1-ium-1-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]isoxazole-3-carboxamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C(=O)NCC2=C3CCN(CC3=CN=C2C)C(=O)C[NH+]4CCCC4

Isomeric SMILES

CCC1=CC(=NO1)C(=O)NCC2=C3CCN(CC3=CN=C2C)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C22H29N5O3/c1-3-17-10-20(25-30-17)22(29)24-12-19-15(2)23-11-16-13-27(9-6-18(16)19)21(28)14-26-7-4-5-8-26/h10-11H,3-9,12-14H2,1-2H3,(H,24,29)/p+1