N-cyclohexyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: N-cyclohexyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-cyclohexyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-cyclohexyl-2-(3,5-dimethyl-1-piperidin-1-iumyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: N-cyclohexyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: N-cyclohexyl-2-(3,5-dimethylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C22H32N3O5+ MolecularWeight: 418.50658

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4)C

Isomeric SMILES

CC1CC(C[NH+](C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4)C

InChI

InChI=1S/C22H31N3O5/c1-14-8-15(2)12-24(11-14)21(22(26)23-16-6-4-3-5-7-16)17-9-19-20(30-13-29-19)10-18(17)25(27)28/h9-10,14-16,21H,3-8,11-13H2,1-2H3,(H,23,26)/p+1