2-[4-(4-ethoxyphenyl)carbonylpiperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(4-ethoxyphenyl)carbonylpiperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C23H28N3O6+ MolecularWeight: 442.48492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O6/c1-3-32-19-7-4-16(5-8-19)23(28)17-10-12-25(13-11-17)15-22(27)24-20-9-6-18(26(29)30)14-21(20)31-2/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,24,27)/p+1