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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H25ClN4O3/c19-15-5-6-16(17(13-15)23(25)26)21-9-11-22(12-10-21)18(24)14-20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12,14H2/p+1