1-(azepan-1-yl)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C18H26Cl2N3O3S+ MolecularWeight: 435.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25Cl2N3O3S/c19-16-6-5-15(13-17(16)20)27(25,26)23-11-9-21(10-12-23)14-18(24)22-7-3-1-2-4-8-22/h5-6,13H,1-4,7-12,14H2/p+1