6-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 6-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: 6-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: 6-nitro-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 6-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: 6-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-piperonylamide Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H23N3O5/c25-21(17-10-19-20(29-14-28-19)11-18(17)24(26)27)22-12-15-6-2-3-7-16(15)13-23-8-4-1-5-9-23/h2-3,6-7,10-11H,1,4-5,8-9,12-14H2,(H,22,25)/p+1