1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanone Formula: C18H26ClN4O3+ MolecularWeight: 381.87704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O3/c1-14-4-2-3-7-22(14)13-18(24)21-10-8-20(9-11-21)16-6-5-15(19)12-17(16)23(25)26/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1