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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-bromanyl-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-bromo-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(4-bromo-2-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-bromo-2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-bromo-2-nitro-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C18H26BrN4O3+ MolecularWeight: 426.32804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN4O3/c19-15-5-6-16(17(13-15)23(25)26)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