(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-chloro-3-(1-piperidylsulfonyl)phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-chloro-3-(1-piperidinylsulfonyl)phenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-3-piperidin-1-ylsulfonylphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-chloro-3-piperidinosulfonyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H26ClN3O3S/c1-2-20-10-12-21(13-11-20)18(23)15-6-7-16(19)17(14-15)26(24,25)22-8-4-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3/p+1