2-[4-(2-methoxyethanoylamino)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2-methoxyethanoylamino)piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-[(2-methoxyacetyl)amino]piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[4-[(2-methoxy-1-oxoethyl)amino]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-[(2-methoxyacetyl)amino]piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[4-[(2-methoxyacetyl)amino]piperidin-1-ium-1-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C17H25N4O6+ MolecularWeight: 381.4036

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)NC1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O6/c1-26-11-17(23)18-12-5-7-20(8-6-12)10-16(22)19-14-4-3-13(27-2)9-15(14)21(24)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,18,23)(H,19,22)/p+1