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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H25ClN4O3/c1-14-4-6-20(7-5-14)13-18(24)22-10-8-21(9-11-22)16-3-2-15(19)12-17(16)23(25)26/h2-3,12,14H,4-11,13H2,1H3/p+1