4-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-4-iumyl]-3-nitrobenzamide IUPAC Name: 4-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-4-ium-1-yl]-3-nitro-benzamide Formula: C19H28N5O4+ MolecularWeight: 390.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4/c1-14-4-2-3-7-23(14)18(25)13-21-8-10-22(11-9-21)16-6-5-15(19(20)26)12-17(16)24(27)28/h5-6,12,14H,2-4,7-11,13H2,1H3,(H2,20,26)/p+1/t14-/m0/s1