N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-methoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H24N3O6+ MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)[NH+]4CCCCC4

InChI

InChI=1S/C21H23N3O6/c1-28-15-7-5-14(6-8-15)22-21(25)20(23-9-3-2-4-10-23)16-11-18-19(30-13-29-18)12-17(16)24(26)27/h5-8,11-12,20H,2-4,9-10,13H2,1H3,(H,22,25)/p+1