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

Systemtic Name: 2-(azocan-1-ium-1-yl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(azocan-1-ium-1-yl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-azocan-1-iumyl)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(azocan-1-ium-1-yl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(azocan-1-ium-1-yl)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]ethanone Formula: C19H28ClN4O3+ MolecularWeight: 395.90362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H27ClN4O3/c20-16-6-7-17(18(14-16)24(26)27)22-10-12-23(13-11-22)19(25)15-21-8-4-2-1-3-5-9-21/h6-7,14H,1-5,8-13,15H2/p+1