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

Systemtic Name: N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-cyclohexyl-2-(4-methyl-1-piperidin-1-iumyl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: N-cyclohexyl-2-(4-methylpiperidin-1-ium-1-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4

Isomeric SMILES

CC1CC[NH+](CC1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCCC4

InChI

InChI=1S/C21H29N3O5/c1-14-7-9-23(10-8-14)20(21(25)22-15-5-3-2-4-6-15)16-11-18-19(29-13-28-18)12-17(16)24(26)27/h11-12,14-15,20H,2-10,13H2,1H3,(H,22,25)/p+1