2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C18H27N4O3+ MolecularWeight: 347.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O3/c1-15-6-4-5-9-21(15)14-18(23)20-12-10-19(11-13-20)16-7-2-3-8-17(16)22(24)25/h2-3,7-8,15H,4-6,9-14H2,1H3/p+1/t15-/m0/s1