6-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 6-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 6-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 6-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 6-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 6-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C22H25N3O5/c26-22(18-12-20-21(30-11-10-29-20)13-19(18)25(27)28)23-14-16-4-6-17(7-5-16)15-24-8-2-1-3-9-24/h4-7,12-13H,1-3,8-11,14-15H2,(H,23,26)/p+1