4-ethoxy-3-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-ethoxy-3-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-ethoxy-3-nitro-N-(1-propyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-ethoxy-3-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-ethoxy-3-nitro-N-(1-propylpiperidin-1-ium-4-yl)benzamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-3-9-19-10-7-14(8-11-19)18-17(21)13-5-6-16(24-4-2)15(12-13)20(22)23/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,18,21)/p+1