N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-methyl-3-nitro-benzamide Formula: C15H21N4O4+ MolecularWeight: 321.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C15H20N4O4/c1-10-12(3-2-4-13(10)19(22)23)15(21)17-11-5-7-18(8-6-11)9-14(16)20/h2-4,11H,5-9H2,1H3,(H2,16,20)(H,17,21)/p+1