[(3R)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [(3R)-1-(3-chloranyl-4-methoxy-phenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [(3R)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [(3R)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-3-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H27ClN3O4S+ MolecularWeight: 416.94268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C18H26ClN3O4S/c1-20-8-10-21(11-9-20)18(23)14-4-3-7-22(13-14)27(24,25)15-5-6-17(26-2)16(19)12-15/h5-6,12,14H,3-4,7-11,13H2,1-2H3/p+1/t14-/m1/s1