N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-[(2S)-2-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide Formula: C19H29ClN3O3S+ MolecularWeight: 414.96986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H28ClN3O3S/c1-15-7-3-6-10-22(15)14-19(24)21-16-8-9-17(20)18(13-16)27(25,26)23-11-4-2-5-12-23/h8-9,13,15H,2-7,10-12,14H2,1H3,(H,21,24)/p+1/t15-/m0/s1