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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C21H23ClN3O5+ MolecularWeight: 432.87742

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O5/c22-15-3-1-14(2-4-15)13-24-7-5-16(6-8-24)23-21(26)17-11-19-20(30-10-9-29-19)12-18(17)25(27)28/h1-4,11-12,16H,5-10,13H2,(H,23,26)/p+1