2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-1-iumyl]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-1-ium-1-yl]-N-(2-nitrophenyl)acetamide Formula: C20H30N5O4+ MolecularWeight: 404.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c1-16-6-4-5-9-24(16)20(27)15-23-12-10-22(11-13-23)14-19(26)21-17-7-2-3-8-18(17)25(28)29/h2-3,7-8,16H,4-6,9-15H2,1H3,(H,21,26)/p+1/t16-/m0/s1