1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C18H26ClN4O3+ MolecularWeight: 381.87704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H25ClN4O3/c1-14-3-2-6-20(12-14)13-18(24)22-9-7-21(8-10-22)16-5-4-15(19)11-17(16)23(25)26/h4-5,11,14H,2-3,6-10,12-13H2,1H3/p+1/t14-/m0/s1