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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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