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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazin-1-ium-1-yl]ethanone Formula: C23H36N5O5S+ MolecularWeight: 494.62744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H35N5O5S/c29-23(26-10-4-1-2-5-11-26)19-24-14-16-25(17-15-24)21-9-8-20(18-22(21)28(30)31)34(32,33)27-12-6-3-7-13-27/h8-9,18H,1-7,10-17,19H2/p+1